N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine

C17H21N — CID 115676380

IUPACN-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCC1CC1C)c1cccc2ccccc12
InChIInChI=1S/C17H21N/c1-12-10-15(12)11-18-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-9,12-13,15,18H,10-11H2,1-2H3
InChIKeyNAMIXTGVCRFBDY-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.15
Rot. Bonds4

About N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine

N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 115676380) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID115676380
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCC1CC1C)c1cccc2ccccc12
InChIInChI=1S/C17H21N/c1-12-10-15(12)11-18-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-9,12-13,15,18H,10-11H2,1-2H3
InChIKeyNAMIXTGVCRFBDY-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 68916013
(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 68913794
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 68913856
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
CID 68913855
(1R)-N-[(1-methylsulfonyl-4-phenylpyrrolidin-3-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 68915998
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 58581915
6-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]morpholin-3-one
CID 71623131
(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 97333037
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine (CID 115676380) is N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine is CC(NCC1CC1C)c1cccc2ccccc12.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is NAMIXTGVCRFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-10-15(12)11-18-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-9,12-13,15,18H,10-11H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine?
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 239.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 115676380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).