1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine

C16H29F3N2 — CID 64759244

IUPAC1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCCC(N(C)C2(CN)CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C16H29F3N2/c1-12-5-3-7-14(9-12)21(2)15(11-20)8-4-6-13(10-15)16(17,18)19/h12-14H,3-11,20H2,1-2H3
InChIKeyMECIUAFUBHLIGQ-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.95
Rot. Bonds3

About 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759244) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759244
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCCC(N(C)C2(CN)CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C16H29F3N2/c1-12-5-3-7-14(9-12)21(2)15(11-20)8-4-6-13(10-15)16(17,18)19/h12-14H,3-11,20H2,1-2H3
InChIKeyMECIUAFUBHLIGQ-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclopentyl]-N,3-dimethylcyclohexan-1-amine
CID 64502176
1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760026
1-(aminomethyl)-N-ethyl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758212
1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
CID 63471584
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759040
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64755493
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757009
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64759244) is 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine is CC1CCCC(N(C)C2(CN)CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MECIUAFUBHLIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-12-5-3-7-14(9-12)21(2)15(11-20)8-4-6-13(10-15)16(17,18)19/h12-14H,3-11,20H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).