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

C12H26N2O — CID 43270304

IUPAC1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(CCC)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-7-13-9-12(15)10-14(8-4-2)11-5-6-11/h11-13,15H,3-10H2,1-2H3
InChIKeyICKKPFNPIVYDRT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds9

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

1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol (PubChem CID 43270304) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
PubChem CID43270304
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(CCC)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-7-13-9-12(15)10-14(8-4-2)11-5-6-11/h11-13,15H,3-10H2,1-2H3
InChIKeyICKKPFNPIVYDRT-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
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-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
CID 61437207
1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317500
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
CID 43165778
1-N-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
CID 43165783
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
CID 55069274
1-(1-adamantyl)-N'-cyclopropyl-N-methyl-N'-propylethane-1,2-diamine
CID 63467165
1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
CID 115475087

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol (CID 43270304) is 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(CCC)C1CC1.
What is the InChIKey of 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol?
The InChIKey is ICKKPFNPIVYDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-7-13-9-12(15)10-14(8-4-2)11-5-6-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol?
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43270304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).