1-(1-aminopropan-2-ylamino)propan-2-ol

C6H16N2O — CID 18678077

IUPAC1-(1-aminopropan-2-ylamino)propan-2-ol
SMILESCC(O)CNC(C)CN
InChIInChI=1S/C6H16N2O/c1-5(3-7)8-4-6(2)9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyFPHKYQIDIXQGFS-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.70
Rot. Bonds4

About 1-(1-aminopropan-2-ylamino)propan-2-ol

1-(1-aminopropan-2-ylamino)propan-2-ol (PubChem CID 18678077) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-(1-aminopropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-ylamino)propan-2-ol
PubChem CID18678077
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-(1-aminopropan-2-ylamino)propan-2-ol
SMILESCC(O)CNC(C)CN
InChIInChI=1S/C6H16N2O/c1-5(3-7)8-4-6(2)9/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyFPHKYQIDIXQGFS-UHFFFAOYSA-N
XLogP-0.70
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ethambutol
CID 14052
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
2-[(1-Methylpropyl)amino]ethanol
CID 98429
N-(2-Hydroxypropyl)-1,2-ethanediamine
CID 101594
N1-(2-Hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226840
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
1,2-Propanediamine, N-(3-hydroxypropyl)-
CID 112017
alpha-Methyl-1-piperazineethanol
CID 258198
1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
1-(Ethylamino)propan-2-ol
CID 3016164
1,3-Bis((1-methylethyl)amino)propan-2-ol
CID 273840

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(1-aminopropan-2-ylamino)propan-2-ol (CID 18678077) is 1-(1-aminopropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1-aminopropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(1-aminopropan-2-ylamino)propan-2-ol is CC(O)CNC(C)CN.
What is the InChIKey of 1-(1-aminopropan-2-ylamino)propan-2-ol?
The InChIKey is FPHKYQIDIXQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-5(3-7)8-4-6(2)9/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-aminopropan-2-ylamino)propan-2-ol?
1-(1-aminopropan-2-ylamino)propan-2-ol has a molecular weight of 132.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 18678077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).