4-methyl-1-naphthalen-1-ylpentan-3-amine

C16H21N — CID 43370560

IUPAC4-methyl-1-naphthalen-1-ylpentan-3-amine
SMILESCC(C)C(N)CCc1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-12(2)16(17)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11,17H2,1-2H3
InChIKeyLWPFNSIEXZXAFS-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.76
Rot. Bonds4

About 4-methyl-1-naphthalen-1-ylpentan-3-amine

4-methyl-1-naphthalen-1-ylpentan-3-amine (PubChem CID 43370560) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methyl-1-naphthalen-1-ylpentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-naphthalen-1-ylpentan-3-amine
PubChem CID43370560
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4-methyl-1-naphthalen-1-ylpentan-3-amine
SMILESCC(C)C(N)CCc1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-12(2)16(17)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11,17H2,1-2H3
InChIKeyLWPFNSIEXZXAFS-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
1-(3,3-dichloropropyl)naphthalene
CID 54458566
2-naphthalen-1-ylethyl-tri(propan-2-yl)silane
CID 176778541
1-(3-chloropentyl)naphthalene
CID 63460195
1-naphthalen-1-ylpentan-3-ol
CID 2793924
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071
N-(4-naphthalen-1-ylbutan-2-yl)aniline
CID 162403213
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
methanamine;1-propylnaphthalene
CID 174438724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-naphthalen-1-ylpentan-3-amine?
The IUPAC name of 4-methyl-1-naphthalen-1-ylpentan-3-amine (CID 43370560) is 4-methyl-1-naphthalen-1-ylpentan-3-amine.
What is the SMILES notation for 4-methyl-1-naphthalen-1-ylpentan-3-amine?
The canonical SMILES for 4-methyl-1-naphthalen-1-ylpentan-3-amine is CC(C)C(N)CCc1cccc2ccccc12.
What is the InChIKey of 4-methyl-1-naphthalen-1-ylpentan-3-amine?
The InChIKey is LWPFNSIEXZXAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-12(2)16(17)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11,17H2,1-2H3.
What are the key properties of 4-methyl-1-naphthalen-1-ylpentan-3-amine?
4-methyl-1-naphthalen-1-ylpentan-3-amine has a molecular weight of 227.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-naphthalen-1-ylpentan-3-amine is sourced from PubChem (CID 43370560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).