N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide

C14H31N5O3 — CID 172946431

IUPACN-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
SMILESNCCCNC(=O)CCN(CCO)CCC(=O)NCCCN
InChIInChI=1S/C14H31N5O3/c15-5-1-7-17-13(21)3-9-19(11-12-20)10-4-14(22)18-8-2-6-16/h20H,1-12,15-16H2,(H,17,21)(H,18,22)
InChIKeyHNIUADGSPCZIIS-UHFFFAOYSA-N
MW317.43 g/mol
LogP-2.01
Rot. Bonds14

About N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide

N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide (PubChem CID 172946431) has the molecular formula C14H31N5O3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
PubChem CID172946431
Molecular FormulaC14H31N5O3
Molecular Weight317.43 g/mol
Exact Mass317.24
IUPAC NameN-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide
SMILESNCCCNC(=O)CCN(CCO)CCC(=O)NCCCN
InChIInChI=1S/C14H31N5O3/c15-5-1-7-17-13(21)3-9-19(11-12-20)10-4-14(22)18-8-2-6-16/h20H,1-12,15-16H2,(H,17,21)(H,18,22)
InChIKeyHNIUADGSPCZIIS-UHFFFAOYSA-N
XLogP-2.01
TPSA133.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[3-[[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]-[3-[3-[bis[3-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propylamino]-3-oxopropyl]amino]propylamino]propyl]amino]propanoylamino]propyl]amino]propanamide
CID 10796636
3-[4-aminobutyl-[3-(3-aminopropylamino)-3-oxopropyl]amino]-N-(3-aminopropyl)propanamide
CID 71362529
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58040549
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]amino]propanoylamino]ethyl]amino]propanamide
CID 101243782
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(3-dimethylsilylpropyl)amino]propanamide
CID 71427849

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide (CID 172946431) is N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide is NCCCNC(=O)CCN(CCO)CCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide?
The InChIKey is HNIUADGSPCZIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5O3/c15-5-1-7-17-13(21)3-9-19(11-12-20)10-4-14(22)18-8-2-6-16/h20H,1-12,15-16H2,(H,17,21)(H,18,22).
What are the key properties of N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide?
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide has a molecular weight of 317.43 g/mol, XLogP of -2.01, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 172946431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).