N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine

C17H28N2 — CID 65080920

IUPACN-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2cccc(CN(C)C)c2)CC1
InChIInChI=1S/C17H28N2/c1-14-6-4-8-16(11-10-14)18-17-9-5-7-15(12-17)13-19(2)3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3
InChIKeyONEQZUHORGUTRH-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine

N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine (PubChem CID 65080920) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
PubChem CID65080920
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2cccc(CN(C)C)c2)CC1
InChIInChI=1S/C17H28N2/c1-14-6-4-8-16(11-10-14)18-17-9-5-7-15(12-17)13-19(2)3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3
InChIKeyONEQZUHORGUTRH-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
CID 64596213
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
N-cyclohexyl-3-ethylaniline
CID 11009024
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-cyclohexyl-4-[(dimethylamino)methyl]aniline
CID 43747284
2-[3-(cyclobutylamino)phenyl]acetonitrile
CID 131026744
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
[3-(cyclopropylamino)phenyl]methanethiol
CID 163530341
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine (CID 65080920) is N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine is CC1CCCC(Nc2cccc(CN(C)C)c2)CC1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine?
The InChIKey is ONEQZUHORGUTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-6-4-8-16(11-10-14)18-17-9-5-7-15(12-17)13-19(2)3/h5,7,9,12,14,16,18H,4,6,8,10-11,13H2,1-3H3.
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine?
N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).