3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine

C18H36N2O — CID 56621414

IUPAC3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine
SMILESNCCC(OC(CCN)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36N2O/c19-13-11-17(15-7-3-1-4-8-15)21-18(12-14-20)16-9-5-2-6-10-16/h15-18H,1-14,19-20H2
InChIKeyNUMNNTAMEBTTPX-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.60
Rot. Bonds8

About 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine

3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine (PubChem CID 56621414) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine.

Molecular Properties

Compound Name3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine
PubChem CID56621414
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine
SMILESNCCC(OC(CCN)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36N2O/c19-13-11-17(15-7-3-1-4-8-15)21-18(12-14-20)16-9-5-2-6-10-16/h15-18H,1-14,19-20H2
InChIKeyNUMNNTAMEBTTPX-UHFFFAOYSA-N
XLogP3.60
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine?
The IUPAC name of 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine (CID 56621414) is 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine.
What is the SMILES notation for 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine?
The canonical SMILES for 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine is NCCC(OC(CCN)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine?
The InChIKey is NUMNNTAMEBTTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c19-13-11-17(15-7-3-1-4-8-15)21-18(12-14-20)16-9-5-2-6-10-16/h15-18H,1-14,19-20H2.
What are the key properties of 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine?
3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-cyclohexylpropoxy)-3-cyclohexylpropan-1-amine is sourced from PubChem (CID 56621414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).