1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 64759040

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-2-8-20(10-12-5-6-12)14(11-19)7-3-4-13(9-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyCJBSWKOAEGXKFZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.56
Rot. Bonds6

About 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759040) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759040
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(CC1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-2-8-20(10-12-5-6-12)14(11-19)7-3-4-13(9-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyCJBSWKOAEGXKFZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758212
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N-(cyclopropylmethyl)-3-ethyl-N-propylcyclopentan-1-amine
CID 64501794
1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760026
1-(aminomethyl)-N-(cyclopropylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64750874
1-(aminomethyl)-N-(cyclopropylmethyl)-3-methoxy-N-propylcyclobutan-1-amine
CID 106821887
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758010
1-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757009
3-(aminomethyl)-N-(cyclopropylmethyl)-1,1-dioxo-N-propylthiolan-3-amine
CID 63162741
1-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759244

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64759040) is 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine is CCCN(CC1CC1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CJBSWKOAEGXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-8-20(10-12-5-6-12)14(11-19)7-3-4-13(9-14)15(16,17)18/h12-13H,2-11,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).