1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine

C18H34N2 — CID 141199870

IUPAC1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
SMILESCC(C1CCC1)C1(N)CCC(N)(C(C)C2CCC2)CC1
InChIInChI=1S/C18H34N2/c1-13(15-5-3-6-15)17(19)9-11-18(20,12-10-17)14(2)16-7-4-8-16/h13-16H,3-12,19-20H2,1-2H3
InChIKeyQXJCZPHYOUBOPC-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.83
Rot. Bonds4

About 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine

1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine (PubChem CID 141199870) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
PubChem CID141199870
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
SMILESCC(C1CCC1)C1(N)CCC(N)(C(C)C2CCC2)CC1
InChIInChI=1S/C18H34N2/c1-13(15-5-3-6-15)17(19)9-11-18(20,12-10-17)14(2)16-7-4-8-16/h13-16H,3-12,19-20H2,1-2H3
InChIKeyQXJCZPHYOUBOPC-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine (CID 141199870) is 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine is CC(C1CCC1)C1(N)CCC(N)(C(C)C2CCC2)CC1.
What is the InChIKey of 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine?
The InChIKey is QXJCZPHYOUBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13(15-5-3-6-15)17(19)9-11-18(20,12-10-17)14(2)16-7-4-8-16/h13-16H,3-12,19-20H2,1-2H3.
What are the key properties of 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine?
1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine has a molecular weight of 278.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 141199870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).