N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine

C16H26N2 — CID 55249216

IUPACN-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
SMILESCNCc1cccc(CN2CCCC(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-14-5-4-9-18(10-8-14)13-16-7-3-6-15(11-16)12-17-2/h3,6-7,11,14,17H,4-5,8-10,12-13H2,1-2H3
InChIKeyXKGFDIMGRXCQKS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine

N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine (PubChem CID 55249216) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
PubChem CID55249216
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
SMILESCNCc1cccc(CN2CCCC(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-14-5-4-9-18(10-8-14)13-16-7-3-6-15(11-16)12-17-2/h3,6-7,11,14,17H,4-5,8-10,12-13H2,1-2H3
InChIKeyXKGFDIMGRXCQKS-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]-N-methylmethanamine
CID 102728495
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
2-methyl-1-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-propylguanidine
CID 111226859
3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 119867445
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
2-methyl-1-(2-methylcyclopropyl)-3-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111962011
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
2-methyl-1-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111226858

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine (CID 55249216) is N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine is CNCc1cccc(CN2CCCC(C)CC2)c1.
What is the InChIKey of N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine?
The InChIKey is XKGFDIMGRXCQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-5-4-9-18(10-8-14)13-16-7-3-6-15(11-16)12-17-2/h3,6-7,11,14,17H,4-5,8-10,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine?
N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 55249216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).