N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine

C16H26N2 — CID 114016631

IUPACN-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
SMILESCc1ccc(N(C)C2CCCCCC2)c(CN)c1
InChIInChI=1S/C16H26N2/c1-13-9-10-16(14(11-13)12-17)18(2)15-7-5-3-4-6-8-15/h9-11,15H,3-8,12,17H2,1-2H3
InChIKeyBMRJSIJEVPUUPG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.61
Rot. Bonds3

About N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine

N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine (PubChem CID 114016631) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
PubChem CID114016631
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine
SMILESCc1ccc(N(C)C2CCCCCC2)c(CN)c1
InChIInChI=1S/C16H26N2/c1-13-9-10-16(14(11-13)12-17)18(2)15-7-5-3-4-6-8-15/h9-11,15H,3-8,12,17H2,1-2H3
InChIKeyBMRJSIJEVPUUPG-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
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2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
CID 62307441
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
N-[2-(2-aminoethyl)-4-methylphenyl]-N-methylthiolan-3-amine
CID 114055297
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646
(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
CID 107931471
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 43610591
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine (CID 114016631) is N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine is Cc1ccc(N(C)C2CCCCCC2)c(CN)c1.
What is the InChIKey of N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine?
The InChIKey is BMRJSIJEVPUUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-9-10-16(14(11-13)12-17)18(2)15-7-5-3-4-6-8-15/h9-11,15H,3-8,12,17H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine?
N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine has a molecular weight of 246.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-4-methylphenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 114016631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).