2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine

C18H35N — CID 64765549

IUPAC2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCC1CCC(C(C)(C)C2CCC(C)CC2N)CC1
InChIInChI=1S/C18H35N/c1-5-14-7-9-15(10-8-14)18(3,4)16-11-6-13(2)12-17(16)19/h13-17H,5-12,19H2,1-4H3
InChIKeyQUTOVRFAFQHDNV-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.99
Rot. Bonds3

About 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine

2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765549) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765549
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCC1CCC(C(C)(C)C2CCC(C)CC2N)CC1
InChIInChI=1S/C18H35N/c1-5-14-7-9-15(10-8-14)18(3,4)16-11-6-13(2)12-17(16)19/h13-17H,5-12,19H2,1-4H3
InChIKeyQUTOVRFAFQHDNV-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine (CID 64765549) is 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine is CCC1CCC(C(C)(C)C2CCC(C)CC2N)CC1.
What is the InChIKey of 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is QUTOVRFAFQHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-5-14-7-9-15(10-8-14)18(3,4)16-11-6-13(2)12-17(16)19/h13-17H,5-12,19H2,1-4H3.
What are the key properties of 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine?
2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylcyclohexyl)propan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).