1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol

C12H24N2O — CID 149152666

IUPAC1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol
SMILESCC(O)CN(CCCNC1CC1)C1CC1
InChIInChI=1S/C12H24N2O/c1-10(15)9-14(12-5-6-12)8-2-7-13-11-3-4-11/h10-13,15H,2-9H2,1H3
InChIKeyJRUGGCKDESBCDT-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.97
Rot. Bonds8

About 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol

1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol (PubChem CID 149152666) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol
PubChem CID149152666
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol
SMILESCC(O)CN(CCCNC1CC1)C1CC1
InChIInChI=1S/C12H24N2O/c1-10(15)9-14(12-5-6-12)8-2-7-13-11-3-4-11/h10-13,15H,2-9H2,1H3
InChIKeyJRUGGCKDESBCDT-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis((1-methylethyl)amino)propan-2-ol
CID 273840
1,3-Bis[(1-Methylethyl)aMino]-2-propanol Dihydrochloride
CID 45262608
2-Hydroxy-n,n'-diisopropylpropane-1,3-diaminium dichloride
CID 139079185
(2S)-1-[3-(dimethylamino)propylamino]propan-2-ol
CID 28380769
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 55011561
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)propan-2-ol
CID 55011608
1-(Cyclopropylamino)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011609
1-(Cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011657
1-(Cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 55011660
1-(Cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 60892910
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(methylamino)propan-2-ol
CID 61605717
1-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-3-(ethylamino)propan-2-ol
CID 61605753

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol?
The IUPAC name of 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol (CID 149152666) is 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol is CC(O)CN(CCCNC1CC1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol?
The InChIKey is JRUGGCKDESBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(15)9-14(12-5-6-12)8-2-7-13-11-3-4-11/h10-13,15H,2-9H2,1H3.
What are the key properties of 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol?
1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[3-(cyclopropylamino)propyl]amino]propan-2-ol is sourced from PubChem (CID 149152666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).