3-[3-(cyclopropylamino)propylamino]propan-1-ol

C9H20N2O — CID 149151310

IUPAC3-[3-(cyclopropylamino)propylamino]propan-1-ol
SMILESOCCCNCCCNC1CC1
InChIInChI=1S/C9H20N2O/c12-8-2-6-10-5-1-7-11-9-3-4-9/h9-12H,1-8H2
InChIKeyQZKDRGPVQVPODF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.10
Rot. Bonds8

About 3-[3-(cyclopropylamino)propylamino]propan-1-ol

3-[3-(cyclopropylamino)propylamino]propan-1-ol (PubChem CID 149151310) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propylamino]propan-1-ol
PubChem CID149151310
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[3-(cyclopropylamino)propylamino]propan-1-ol
SMILESOCCCNCCCNC1CC1
InChIInChI=1S/C9H20N2O/c12-8-2-6-10-5-1-7-11-9-3-4-9/h9-12H,1-8H2
InChIKeyQZKDRGPVQVPODF-UHFFFAOYSA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propylamino]propan-1-ol?
The IUPAC name of 3-[3-(cyclopropylamino)propylamino]propan-1-ol (CID 149151310) is 3-[3-(cyclopropylamino)propylamino]propan-1-ol.
What is the SMILES notation for 3-[3-(cyclopropylamino)propylamino]propan-1-ol?
The canonical SMILES for 3-[3-(cyclopropylamino)propylamino]propan-1-ol is OCCCNCCCNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)propylamino]propan-1-ol?
The InChIKey is QZKDRGPVQVPODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c12-8-2-6-10-5-1-7-11-9-3-4-9/h9-12H,1-8H2.
What are the key properties of 3-[3-(cyclopropylamino)propylamino]propan-1-ol?
3-[3-(cyclopropylamino)propylamino]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propylamino]propan-1-ol is sourced from PubChem (CID 149151310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).