1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 64753685

IUPAC1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(C1CC1)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-2-9-19(12-3-4-12)13(10-18)7-5-11(6-8-13)14(15,16)17/h11-12H,2-10,18H2,1H3
InChIKeyQTHMOUAKRVVUHX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753685) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753685
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(C1CC1)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-2-9-19(12-3-4-12)13(10-18)7-5-11(6-8-13)14(15,16)17/h11-12H,2-10,18H2,1H3
InChIKeyQTHMOUAKRVVUHX-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopentyl-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754085
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328
1-(aminomethyl)-N-cyclopropyl-N-propylcyclohexan-1-amine
CID 43270236
1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
CID 79521257
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
CID 63335549
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
1-(aminomethyl)-N-butyl-N-cyclopropyl-4-ethylcycloheptan-1-amine
CID 65087923
1-(aminomethyl)-N-ethyl-N-propyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758212
1-(aminomethyl)-N-cyclohexyl-N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64760026
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753685) is 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine is CCCN(C1CC1)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QTHMOUAKRVVUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-9-19(12-3-4-12)13(10-18)7-5-11(6-8-13)14(15,16)17/h11-12H,2-10,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).