1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine

C16H29F3N2 — CID 64760026

IUPAC1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C1CCCCC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H29F3N2/c1-2-21(14-8-4-3-5-9-14)15(12-20)10-6-7-13(11-15)16(17,18)19/h13-14H,2-12,20H2,1H3
InChIKeyNZLIFYSICAXROV-UHFFFAOYSA-N
MW306.42 g/mol
LogP4.09
Rot. Bonds4

About 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64760026) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64760026
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN(C1CCCCC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H29F3N2/c1-2-21(14-8-4-3-5-9-14)15(12-20)10-6-7-13(11-15)16(17,18)19/h13-14H,2-12,20H2,1H3
InChIKeyNZLIFYSICAXROV-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754085
1-(aminomethyl)-N-ethyl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758212
1-(aminomethyl)-N-cyclopentyl-3-cyclopropyl-N-ethylcyclohexan-1-amine
CID 64624828
1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759244
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759040
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757009
1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753685
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64760026) is 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine is CCN(C1CCCCC1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NZLIFYSICAXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-2-21(14-8-4-3-5-9-14)15(12-20)10-6-7-13(11-15)16(17,18)19/h13-14H,2-12,20H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64760026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).