N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

C22H35F3N2 — CID 142934260

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCC(C)(C)CCN(Cc1ccc(C(F)(F)F)cc1)CC1CCC(CN)CC1
InChIInChI=1S/C22H35F3N2/c1-21(2,3)12-13-27(15-18-6-4-17(14-26)5-7-18)16-19-8-10-20(11-9-19)22(23,24)25/h8-11,17-18H,4-7,12-16,26H2,1-3H3
InChIKeyQZFOVGLTCLLYTG-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.71
Rot. Bonds7

About N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 142934260) has the molecular formula C22H35F3N2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID142934260
Molecular FormulaC22H35F3N2
Molecular Weight384.53 g/mol
Exact Mass384.28
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCC(C)(C)CCN(Cc1ccc(C(F)(F)F)cc1)CC1CCC(CN)CC1
InChIInChI=1S/C22H35F3N2/c1-21(2,3)12-13-27(15-18-6-4-17(14-26)5-7-18)16-19-8-10-20(11-9-19)22(23,24)25/h8-11,17-18H,4-7,12-16,26H2,1-3H3
InChIKeyQZFOVGLTCLLYTG-UHFFFAOYSA-N
XLogP5.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine with MolForge

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Related Compounds

[4-[[cyclohexylmethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]cyclohexyl]methanamine
CID 142934403
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 142934394
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(4-fluorophenyl)methyl]-2,2-diphenylethanamine
CID 23826295
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401
4-[[[4-(aminomethyl)cyclohexyl]methyl-(2-methylpropyl)amino]methyl]-N,N-dimethylaniline
CID 142934641
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438328
[4-[[(3,4-dichlorophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;2,2-difluoropropanal;ethane
CID 142934334

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 142934260) is N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is CC(C)(C)CCN(Cc1ccc(C(F)(F)F)cc1)CC1CCC(CN)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is QZFOVGLTCLLYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F3N2/c1-21(2,3)12-13-27(15-18-6-4-17(14-26)5-7-18)16-19-8-10-20(11-9-19)22(23,24)25/h8-11,17-18H,4-7,12-16,26H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 384.53 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 142934260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).