N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine

C20H31N — CID 81028858

IUPACN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
SMILESCNCC1CCCCCC1CC1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-21-15-19-10-4-2-3-9-17(19)14-18-12-7-11-16-8-5-6-13-20(16)18/h5-6,8,13,17-19,21H,2-4,7,9-12,14-15H2,1H3
InChIKeyOLGRSMUCKRJCFR-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.91
Rot. Bonds4

About N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine

N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine (PubChem CID 81028858) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
PubChem CID81028858
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
SMILESCNCC1CCCCCC1CC1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-21-15-19-10-4-2-3-9-17(19)14-18-12-7-11-16-8-5-6-13-20(16)18/h5-6,8,13,17-19,21H,2-4,7,9-12,14-15H2,1H3
InChIKeyOLGRSMUCKRJCFR-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81010954
1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63772319
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-2-yl]methanamine
CID 63771773
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine (CID 81028858) is N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine is CNCC1CCCCCC1CC1CCCc2ccccc21.
What is the InChIKey of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
The InChIKey is OLGRSMUCKRJCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-21-15-19-10-4-2-3-9-17(19)14-18-12-7-11-16-8-5-6-13-20(16)18/h5-6,8,13,17-19,21H,2-4,7,9-12,14-15H2,1H3.
What are the key properties of N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine has a molecular weight of 285.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine is sourced from PubChem (CID 81028858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).