N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride

C18H24ClN — CID 17294536

IUPACN-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
SMILESCl.c1ccc2c(CNC3CCCCCC3)cccc2c1
InChIInChI=1S/C18H23N.ClH/c1-2-4-12-17(11-3-1)19-14-16-10-7-9-15-8-5-6-13-18(15)16;/h5-10,13,17,19H,1-4,11-12,14H2;1H
InChIKeyINXICFKJXYCSRC-UHFFFAOYSA-N
MW289.85 g/mol
LogP5.07
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride

N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride (PubChem CID 17294536) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
PubChem CID17294536
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC NameN-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
SMILESCl.c1ccc2c(CNC3CCCCCC3)cccc2c1
InChIInChI=1S/C18H23N.ClH/c1-2-4-12-17(11-3-1)19-14-16-10-7-9-15-8-5-6-13-18(15)16;/h5-10,13,17,19H,1-4,11-12,14H2;1H
InChIKeyINXICFKJXYCSRC-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-[[1-[(cyclohexylamino)methyl]naphthalen-2-yl]methyl]cyclohexanamine
CID 154130289
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-ethyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 60657910
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride?
The IUPAC name of N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride (CID 17294536) is N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride?
The canonical SMILES for N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride is Cl.c1ccc2c(CNC3CCCCCC3)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride?
The InChIKey is INXICFKJXYCSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c1-2-4-12-17(11-3-1)19-14-16-10-7-9-15-8-5-6-13-18(15)16;/h5-10,13,17,19H,1-4,11-12,14H2;1H.
What are the key properties of N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride?
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride is sourced from PubChem (CID 17294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).