N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine

C18H29N — CID 63511415

IUPACN-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(c2cc(C)cc(C)c2)CCCCCC1
InChIInChI=1S/C18H29N/c1-4-19-14-18(9-7-5-6-8-10-18)17-12-15(2)11-16(3)13-17/h11-13,19H,4-10,14H2,1-3H3
InChIKeyBCJKTGYTXCELCB-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.50
Rot. Bonds4

About N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine

N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine (PubChem CID 63511415) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
PubChem CID63511415
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(c2cc(C)cc(C)c2)CCCCCC1
InChIInChI=1S/C18H29N/c1-4-19-14-18(9-7-5-6-8-10-18)17-12-15(2)11-16(3)13-17/h11-13,19H,4-10,14H2,1-3H3
InChIKeyBCJKTGYTXCELCB-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511073
N-[[1-(3,5-difluorophenyl)cyclopentyl]methyl]ethanamine
CID 62595738
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
1-[1-(3,5-dimethylphenyl)cyclopropyl]-N-methylmethanamine
CID 62595536
2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine
CID 129311864
N-[[1-(cyclohexen-1-yl)cyclopentyl]methyl]ethanamine
CID 116662225
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine (CID 63511415) is N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine is CCNCC1(c2cc(C)cc(C)c2)CCCCCC1.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine?
The InChIKey is BCJKTGYTXCELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-19-14-18(9-7-5-6-8-10-18)17-12-15(2)11-16(3)13-17/h11-13,19H,4-10,14H2,1-3H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine?
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 63511415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).