1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol

C16H40N4O2 — CID 174950006

IUPAC1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
SMILESCC(O)CN.CC(O)CN(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C13H31N3O.C3H9NO/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5;1-3(5)2-4/h13,17H,6-12H2,1-5H3;3,5H,2,4H2,1H3
InChIKeyJYYPXUBSKCPNNF-UHFFFAOYSA-N
MW320.52 g/mol
LogP-0.10
Rot. Bonds11

About 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol

1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol (PubChem CID 174950006) has the molecular formula C16H40N4O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
PubChem CID174950006
Molecular FormulaC16H40N4O2
Molecular Weight320.52 g/mol
Exact Mass320.32
IUPAC Name1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
SMILESCC(O)CN.CC(O)CN(CCCN(C)C)CCCN(C)C
InChIInChI=1S/C13H31N3O.C3H9NO/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5;1-3(5)2-4/h13,17H,6-12H2,1-5H3;3,5H,2,4H2,1H3
InChIKeyJYYPXUBSKCPNNF-UHFFFAOYSA-N
XLogP-0.10
TPSA76.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ivospemin
CID 9883501
1-Amino-3-(diethylamino)propan-2-ol
CID 97749
(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
CID 3075354
4-(Ethylamino)-1-[4-[[4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
CID 9948912
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
2-Propanol, 1,1'-[[3-[bis[3-(dimethylamino)propyl]amino]propyl]imino]bis-
CID 87596645
(2R)-1-(ethylamino)-3-[3-[[(2R)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10740890
1-[(3-Aminopropyl)-(2-hydroxypropyl)-amino]propan-2-OL
CID 22266927
2-Propanol, 1,1',1'',1'''-[iminobis(2,1-ethanediylnitrilo)]tetrakis-
CID 53968111
1,3-Bis(3-aminopropylamino)propan-2-ol
CID 18689620
N,N-bis(2-hydroxypropyl) ethylenediamine
CID 19350109
Titanium, (2-(amino-kappaN)ethanolato-kappaO)(2-(bis(2-hydroxyethyl)amino-kappaN)ethanolato-kappaO)bis(2-propanolato)-
CID 106454

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol?
The IUPAC name of 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol (CID 174950006) is 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol.
What is the SMILES notation for 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol?
The canonical SMILES for 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol is CC(O)CN.CC(O)CN(CCCN(C)C)CCCN(C)C.
What is the InChIKey of 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol?
The InChIKey is JYYPXUBSKCPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O.C3H9NO/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5;1-3(5)2-4/h13,17H,6-12H2,1-5H3;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol?
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol has a molecular weight of 320.52 g/mol, XLogP of -0.10, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol is sourced from PubChem (CID 174950006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).