4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine

C20H40N2 — CID 162715157

IUPAC4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine
SMILESCCCC(C1CCC(N)C(CC)C1)C1CCC(N)C(CC)C1
InChIInChI=1S/C20H40N2/c1-4-7-18(16-8-10-19(21)14(5-2)12-16)17-9-11-20(22)15(6-3)13-17/h14-20H,4-13,21-22H2,1-3H3
InChIKeyKQYCWYWDTGCDBK-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.71
Rot. Bonds6

About 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine

4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine (PubChem CID 162715157) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine
PubChem CID162715157
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine
SMILESCCCC(C1CCC(N)C(CC)C1)C1CCC(N)C(CC)C1
InChIInChI=1S/C20H40N2/c1-4-7-18(16-8-10-19(21)14(5-2)12-16)17-9-11-20(22)15(6-3)13-17/h14-20H,4-13,21-22H2,1-3H3
InChIKeyKQYCWYWDTGCDBK-UHFFFAOYSA-N
XLogP4.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine (CID 162715157) is 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine is CCCC(C1CCC(N)C(CC)C1)C1CCC(N)C(CC)C1.
What is the InChIKey of 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine?
The InChIKey is KQYCWYWDTGCDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-4-7-18(16-8-10-19(21)14(5-2)12-16)17-9-11-20(22)15(6-3)13-17/h14-20H,4-13,21-22H2,1-3H3.
What are the key properties of 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine?
4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-ethylcyclohexyl)butyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 162715157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).