3-methyl-1-naphthalen-1-ylhexan-2-amine

C17H23N — CID 61078654

IUPAC3-methyl-1-naphthalen-1-ylhexan-2-amine
SMILESCCCC(C)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-3-7-13(2)17(18)12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11,13,17H,3,7,12,18H2,1-2H3
InChIKeyJHWSXXPENQHZRC-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.15
Rot. Bonds5

About 3-methyl-1-naphthalen-1-ylhexan-2-amine

3-methyl-1-naphthalen-1-ylhexan-2-amine (PubChem CID 61078654) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-1-ylhexan-2-amine.

Molecular Properties

Compound Name3-methyl-1-naphthalen-1-ylhexan-2-amine
PubChem CID61078654
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-methyl-1-naphthalen-1-ylhexan-2-amine
SMILESCCCC(C)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-3-7-13(2)17(18)12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11,13,17H,3,7,12,18H2,1-2H3
InChIKeyJHWSXXPENQHZRC-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 79616440
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173
1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
CID 65128492
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
1-(2-methylhexadecyl)naphthalene
CID 139758361
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966
3-methyl-4-naphthalen-1-yl-N-propylbutan-2-amine
CID 54891258
1-(2-chloropropyl)naphthalene
CID 12809422

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-1-ylhexan-2-amine?
The IUPAC name of 3-methyl-1-naphthalen-1-ylhexan-2-amine (CID 61078654) is 3-methyl-1-naphthalen-1-ylhexan-2-amine.
What is the SMILES notation for 3-methyl-1-naphthalen-1-ylhexan-2-amine?
The canonical SMILES for 3-methyl-1-naphthalen-1-ylhexan-2-amine is CCCC(C)C(N)Cc1cccc2ccccc12.
What is the InChIKey of 3-methyl-1-naphthalen-1-ylhexan-2-amine?
The InChIKey is JHWSXXPENQHZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-7-13(2)17(18)12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11,13,17H,3,7,12,18H2,1-2H3.
What are the key properties of 3-methyl-1-naphthalen-1-ylhexan-2-amine?
3-methyl-1-naphthalen-1-ylhexan-2-amine has a molecular weight of 241.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-1-ylhexan-2-amine is sourced from PubChem (CID 61078654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).