N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide

C36H78N10O6 — CID 118288450

IUPACN-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide
SMILESCCCN(CCCN(CCCN(CCC)CCC(=O)NCC(O)CN)CCCN(CCC)CCC(=O)NCC(O)CN)CCC(=O)NCC(O)CN
InChIInChI=1S/C36H78N10O6/c1-4-13-43(22-10-34(50)40-28-31(47)25-37)16-7-19-46(20-8-17-44(14-5-2)23-11-35(51)41-29-32(48)26-38)21-9-18-45(15-6-3)24-12-36(52)42-30-33(49)27-39/h31-33,47-49H,4-30,37-39H2,1-3H3,(H,40,50)(H,41,51)(H,42,52)
InChIKeyYONDJIIAUKCXIM-UHFFFAOYSA-N
MW747.08 g/mol
LogP-1.93
Rot. Bonds36

About N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide

N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide (PubChem CID 118288450) has the molecular formula C36H78N10O6 and a molecular weight of 747.08 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide
PubChem CID118288450
Molecular FormulaC36H78N10O6
Molecular Weight747.08 g/mol
Exact Mass746.61
IUPAC NameN-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide
SMILESCCCN(CCCN(CCCN(CCC)CCC(=O)NCC(O)CN)CCCN(CCC)CCC(=O)NCC(O)CN)CCC(=O)NCC(O)CN
InChIInChI=1S/C36H78N10O6/c1-4-13-43(22-10-34(50)40-28-31(47)25-37)16-7-19-46(20-8-17-44(14-5-2)23-11-35(51)41-29-32(48)26-38)21-9-18-45(15-6-3)24-12-36(52)42-30-33(49)27-39/h31-33,47-49H,4-30,37-39H2,1-3H3,(H,40,50)(H,41,51)(H,42,52)
InChIKeyYONDJIIAUKCXIM-UHFFFAOYSA-N
XLogP-1.93
TPSA239.01 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500747.08
LogP ≤ 5-1.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

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Related Compounds

N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-(2-hydroxyethyl)amino]propyl]amino]propyl-(2-hydroxyethyl)amino]propanamide
CID 118288460
N-(3-amino-2-hydroxypropyl)-3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-[2-[bis[2-[bis[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
CID 118288451
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
(9Z,12Z)-N-(3-amino-2-hydroxypropyl)octadeca-9,12-dienamide
CID 135070978
3-(dipropylamino)-N-(1-hydroxyethyl)propanamide
CID 23363413
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
2-amino-N-[3-(dipropylamino)propyl]acetamide
CID 119861226
3-(dipropylamino)-N-methylpropanamide
CID 90814262
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide (CID 118288450) is N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide is CCCN(CCCN(CCCN(CCC)CCC(=O)NCC(O)CN)CCCN(CCC)CCC(=O)NCC(O)CN)CCC(=O)NCC(O)CN.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide?
The InChIKey is YONDJIIAUKCXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78N10O6/c1-4-13-43(22-10-34(50)40-28-31(47)25-37)16-7-19-46(20-8-17-44(14-5-2)23-11-35(51)41-29-32(48)26-38)21-9-18-45(15-6-3)24-12-36(52)42-30-33(49)27-39/h31-33,47-49H,4-30,37-39H2,1-3H3,(H,40,50)(H,41,51)(H,42,52).
What are the key properties of N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide?
N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide has a molecular weight of 747.08 g/mol, XLogP of -1.93, 36 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-3-[3-[bis[3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-propylamino]propyl]amino]propyl-propylamino]propanamide is sourced from PubChem (CID 118288450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).