1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

C16H29F3N2 — CID 64755111

IUPAC1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(CC1CCCCC1)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H29F3N2/c1-21(11-13-5-3-2-4-6-13)15(12-20)9-7-14(8-10-15)16(17,18)19/h13-14H,2-12,20H2,1H3
InChIKeyFYJXNBDYOQXHHW-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.95
Rot. Bonds4

About 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755111) has the molecular formula C16H29F3N2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755111
Molecular FormulaC16H29F3N2
Molecular Weight306.42 g/mol
Exact Mass306.23
IUPAC Name1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(CC1CCCCC1)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H29F3N2/c1-21(11-13-5-3-2-4-6-13)15(12-20)9-7-14(8-10-15)16(17,18)19/h13-14H,2-12,20H2,1H3
InChIKeyFYJXNBDYOQXHHW-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328
1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754085
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
CID 64755493
3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
CID 62873285
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755111) is 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is CN(CC1CCCCC1)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FYJXNBDYOQXHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2/c1-21(11-13-5-3-2-4-6-13)15(12-20)9-7-14(8-10-15)16(17,18)19/h13-14H,2-12,20H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).