4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine

C17H34N2 — CID 79111630

IUPAC4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-13-19(17-11-9-16(18)10-12-17)14(2)15-7-5-4-6-8-15/h14-17H,3-13,18H2,1-2H3
InChIKeyIBNYATFFTNGAFS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.94
Rot. Bonds5

About 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111630) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111630
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-13-19(17-11-9-16(18)10-12-17)14(2)15-7-5-4-6-8-15/h14-17H,3-13,18H2,1-2H3
InChIKeyIBNYATFFTNGAFS-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine (CID 79111630) is 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)C1CCCCC1.
What is the InChIKey of 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is IBNYATFFTNGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-13-19(17-11-9-16(18)10-12-17)14(2)15-7-5-4-6-8-15/h14-17H,3-13,18H2,1-2H3.
What are the key properties of 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).