1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine

C17H33N — CID 64748383

IUPAC1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCC(C2(N)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N/c1-4-14-5-7-16(8-6-14)17(18)11-9-15(10-12-17)13(2)3/h13-16H,4-12,18H2,1-3H3
InChIKeyLVJOOQMFKHRBJQ-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.75
Rot. Bonds3

About 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine

1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64748383) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID64748383
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCC(C2(N)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N/c1-4-14-5-7-16(8-6-14)17(18)11-9-15(10-12-17)13(2)3/h13-16H,4-12,18H2,1-3H3
InChIKeyLVJOOQMFKHRBJQ-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine (CID 64748383) is 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine is CCC1CCC(C2(N)CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is LVJOOQMFKHRBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-14-5-7-16(8-6-14)17(18)11-9-15(10-12-17)13(2)3/h13-16H,4-12,18H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine?
1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64748383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).