1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine

C12H21F3N2 — CID 64758008

IUPAC1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-17(10-4-5-10)11(8-16)6-2-3-9(7-11)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyHCGHFVDDQLZDDC-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.53
Rot. Bonds3

About 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758008) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758008
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-17(10-4-5-10)11(8-16)6-2-3-9(7-11)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyHCGHFVDDQLZDDC-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758008) is 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine is CN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HCGHFVDDQLZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-17(10-4-5-10)11(8-16)6-2-3-9(7-11)12(13,14)15/h9-10H,2-8,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-methyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.53, 3 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-methyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).