2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine

C11H21F3N2 — CID 60890977

IUPAC2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
SMILESCN(CC(F)(F)F)C1CCCCCC1CN
InChIInChI=1S/C11H21F3N2/c1-16(8-11(12,13)14)10-6-4-2-3-5-9(10)7-15/h9-10H,2-8,15H2,1H3
InChIKeyWWAIPXILXBYXBD-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds3

About 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine

2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine (PubChem CID 60890977) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
PubChem CID60890977
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
SMILESCN(CC(F)(F)F)C1CCCCCC1CN
InChIInChI=1S/C11H21F3N2/c1-16(8-11(12,13)14)10-6-4-2-3-5-9(10)7-15/h9-10H,2-8,15H2,1H3
InChIKeyWWAIPXILXBYXBD-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
3-Diethylamino-6-methyl-7-n-octylamino fluorane
CID 57226826
N-(5,5,7,8,8,8-hexafluoro-3-methyloctyl)-N',N'-dimethylpropane-1,3-diamine
CID 89292903
N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine
CID 89292987
N',N'-dimethyl-N-[9,10,10,10-tetrafluoro-5,7,9-tris(trifluoromethyl)decyl]propane-1,3-diamine
CID 89380841
N-[5,5,7,8,8,8-hexafluoro-3,7-bis(trifluoromethyl)octyl]-N',N'-dimethylpropane-1,3-diamine
CID 89380893
N',N'-dimethyl-N-[(5S)-9,10,10,10-tetrafluoro-5,7,9-tris(trifluoromethyl)decyl]propane-1,3-diamine
CID 89380964
1,1,1-trifluoro-8-methyl-N-propan-2-ylnonan-2-amine
CID 132061358
4-methyl-N-(trifluoromethyl)cycloheptan-1-amine
CID 134343193
N-[[4-(aminomethyl)cycloheptyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 141921167
3,3-difluoro-N,7-dimethylnonan-4-amine
CID 154667672

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine (CID 60890977) is 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine is CN(CC(F)(F)F)C1CCCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
The InChIKey is WWAIPXILXBYXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-16(8-11(12,13)14)10-6-4-2-3-5-9(10)7-15/h9-10H,2-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine?
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine is sourced from PubChem (CID 60890977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).