2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine

C18H35N — CID 82920767

IUPAC2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
SMILESCCC(CC)CC1(N)CCCCC1C1CCCCC1
InChIInChI=1S/C18H35N/c1-3-15(4-2)14-18(19)13-9-8-12-17(18)16-10-6-5-7-11-16/h15-17H,3-14,19H2,1-2H3
InChIKeyDTMNRNSTAXKWRQ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.28
Rot. Bonds5

About 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine

2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine (PubChem CID 82920767) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
PubChem CID82920767
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine
SMILESCCC(CC)CC1(N)CCCCC1C1CCCCC1
InChIInChI=1S/C18H35N/c1-3-15(4-2)14-18(19)13-9-8-12-17(18)16-10-6-5-7-11-16/h15-17H,3-14,19H2,1-2H3
InChIKeyDTMNRNSTAXKWRQ-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine (CID 82920767) is 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine is CCC(CC)CC1(N)CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine?
The InChIKey is DTMNRNSTAXKWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-3-15(4-2)14-18(19)13-9-8-12-17(18)16-10-6-5-7-11-16/h15-17H,3-14,19H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine?
2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-ethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 82920767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).