1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

C13H25F3N2 — CID 64753883

IUPAC1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-4-10(2)18(3)12(9-17)7-5-11(6-8-12)13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyAMANLQBCBSXGSW-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.17
Rot. Bonds4

About 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753883) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753883
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2/c1-4-10(2)18(3)12(9-17)7-5-11(6-8-12)13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyAMANLQBCBSXGSW-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4,4-difluorocyclohexyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 59383015
1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887
(2S)-2-propan-2-yl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine
CID 118872092
(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126512606
4-[(1,1-Difluoropropan-2-ylamino)methyl]cyclohexan-1-amine
CID 129247745
(1R,2R,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429401
(1S,2S,4R)-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429413
(1S,2S,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429419
(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429422
(1S,2S,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429431
(1R,2R,4S)-2-N,2-N-dimethyl-1-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429432
(1R,2R,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429435

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753883) is 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is CCC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AMANLQBCBSXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-10(2)18(3)12(9-17)7-5-11(6-8-12)13(14,15)16/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).