1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol

C12H26N2O — CID 19969119

IUPAC1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN)C1CCCCC1
InChIInChI=1S/C12H26N2O/c1-11(15)10-14(9-5-8-13)12-6-3-2-4-7-12/h11-12,15H,2-10,13H2,1H3
InChIKeyRKZWFTZBGGQNCW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds6

About 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol

1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol (PubChem CID 19969119) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol
PubChem CID19969119
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN)C1CCCCC1
InChIInChI=1S/C12H26N2O/c1-11(15)10-14(9-5-8-13)12-6-3-2-4-7-12/h11-12,15H,2-10,13H2,1H3
InChIKeyRKZWFTZBGGQNCW-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol (CID 19969119) is 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol is CC(O)CN(CCCN)C1CCCCC1.
What is the InChIKey of 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol?
The InChIKey is RKZWFTZBGGQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(15)10-14(9-5-8-13)12-6-3-2-4-7-12/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol?
1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(cyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 19969119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).