N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C16H28F3N — CID 64756090

IUPACN-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCC(CCNC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H28F3N/c1-12-2-4-13(5-3-12)10-11-20-15-8-6-14(7-9-15)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyBCCAAYLCMANVDO-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.91
Rot. Bonds4

About N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756090) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756090
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCC(CCNC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H28F3N/c1-12-2-4-13(5-3-12)10-11-20-15-8-6-14(7-9-15)16(17,18)19/h12-15,20H,2-11H2,1H3
InChIKeyBCCAAYLCMANVDO-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756090) is N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC1CCC(CCNC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BCCAAYLCMANVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-12-2-4-13(5-3-12)10-11-20-15-8-6-14(7-9-15)16(17,18)19/h12-15,20H,2-11H2,1H3.
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).