2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine

C17H27N — CID 115789919

IUPAC2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CC1CCCCCC1)c1cccc(C)c1
InChIInChI=1S/C17H27N/c1-14-8-7-11-16(12-14)17(18-2)13-15-9-5-3-4-6-10-15/h7-8,11-12,15,17-18H,3-6,9-10,13H2,1-2H3
InChIKeyCNOUNCFVDFUSSI-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.62
Rot. Bonds4

About 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine

2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine (PubChem CID 115789919) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
PubChem CID115789919
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
SMILESCNC(CC1CCCCCC1)c1cccc(C)c1
InChIInChI=1S/C17H27N/c1-14-8-7-11-16(12-14)17(18-2)13-15-9-5-3-4-6-10-15/h7-8,11-12,15,17-18H,3-6,9-10,13H2,1-2H3
InChIKeyCNOUNCFVDFUSSI-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
[2-cyclopropyl-1-(3-methylphenyl)ethyl]hydrazine
CID 105200606
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
2-cyclopentyl-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503517
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine (CID 115789919) is 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine is CNC(CC1CCCCCC1)c1cccc(C)c1.
What is the InChIKey of 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine?
The InChIKey is CNOUNCFVDFUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-8-7-11-16(12-14)17(18-2)13-15-9-5-3-4-6-10-15/h7-8,11-12,15,17-18H,3-6,9-10,13H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine?
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 115789919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).