4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine

C18H35N — CID 81013024

IUPAC4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCCCC1C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C18H35N/c1-5-13-8-6-7-9-15(13)16-12-14(18(2,3)4)10-11-17(16)19/h13-17H,5-12,19H2,1-4H3
InChIKeyCLFZWCDIBRLZHY-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.99
Rot. Bonds2

About 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine

4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine (PubChem CID 81013024) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine
PubChem CID81013024
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCCCC1C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C18H35N/c1-5-13-8-6-7-9-15(13)16-12-14(18(2,3)4)10-11-17(16)19/h13-17H,5-12,19H2,1-4H3
InChIKeyCLFZWCDIBRLZHY-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine (CID 81013024) is 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine is CCC1CCCCC1C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine?
The InChIKey is CLFZWCDIBRLZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-13-8-6-7-9-15(13)16-12-14(18(2,3)4)10-11-17(16)19/h13-17H,5-12,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine?
4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-ethylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 81013024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).