1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine

C14H27F3N2 — CID 64753684

IUPAC1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(C(C)C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-4-9-19(11(2)3)13(10-18)7-5-12(6-8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyAFQNOYRAHYZUPF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753684) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753684
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(C(C)C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-4-9-19(11(2)3)13(10-18)7-5-12(6-8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3
InChIKeyAFQNOYRAHYZUPF-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
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-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753684) is 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine is CCCN(C(C)C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AFQNOYRAHYZUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-4-9-19(11(2)3)13(10-18)7-5-12(6-8-13)14(15,16)17/h11-12H,4-10,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propan-2-yl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).