4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine

C15H30N2 — CID 79741042

IUPAC4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine
SMILESCCC(NC1CCC(N)CC1)C1CCCCC1
InChIInChI=1S/C15H30N2/c1-2-15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h12-15,17H,2-11,16H2,1H3
InChIKeyWVWMOOCTBYRTNB-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds4

About 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine

4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine (PubChem CID 79741042) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine
PubChem CID79741042
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine
SMILESCCC(NC1CCC(N)CC1)C1CCCCC1
InChIInChI=1S/C15H30N2/c1-2-15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h12-15,17H,2-11,16H2,1H3
InChIKeyWVWMOOCTBYRTNB-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine (CID 79741042) is 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine is CCC(NC1CCC(N)CC1)C1CCCCC1.
What is the InChIKey of 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine?
The InChIKey is WVWMOOCTBYRTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-15(12-6-4-3-5-7-12)17-14-10-8-13(16)9-11-14/h12-15,17H,2-11,16H2,1H3.
What are the key properties of 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine?
4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79741042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).