N-(naphthalen-2-ylmethyl)hexan-3-amine

C17H23N — CID 63477604

IUPACN-(naphthalen-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-3-7-17(4-2)18-13-14-10-11-15-8-5-6-9-16(15)12-14/h5-6,8-12,17-18H,3-4,7,13H2,1-2H3
InChIKeyNIDOTVGFOWGIMI-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.51
Rot. Bonds6

About N-(naphthalen-2-ylmethyl)hexan-3-amine

N-(naphthalen-2-ylmethyl)hexan-3-amine (PubChem CID 63477604) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)hexan-3-amine
PubChem CID63477604
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-(naphthalen-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1ccc2ccccc2c1
InChIInChI=1S/C17H23N/c1-3-7-17(4-2)18-13-14-10-11-15-8-5-6-9-16(15)12-14/h5-6,8-12,17-18H,3-4,7,13H2,1-2H3
InChIKeyNIDOTVGFOWGIMI-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
3-(naphthalen-2-ylmethylamino)pentanenitrile
CID 55101550
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933
N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
CID 62119825
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
CID 62117418
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)hexan-3-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)hexan-3-amine (CID 63477604) is N-(naphthalen-2-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)hexan-3-amine is CCCC(CC)NCc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)hexan-3-amine?
The InChIKey is NIDOTVGFOWGIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-7-17(4-2)18-13-14-10-11-15-8-5-6-9-16(15)12-14/h5-6,8-12,17-18H,3-4,7,13H2,1-2H3.
What are the key properties of N-(naphthalen-2-ylmethyl)hexan-3-amine?
N-(naphthalen-2-ylmethyl)hexan-3-amine has a molecular weight of 241.38 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)hexan-3-amine is sourced from PubChem (CID 63477604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).