3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine

C17H23N — CID 62678617

IUPAC3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
SMILESCCC(C)(C)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-4-17(2,3)16(18)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,4,12,18H2,1-3H3
InChIKeyAFMSOXMBLGWACW-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.15
Rot. Bonds4

About 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine

3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine (PubChem CID 62678617) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
PubChem CID62678617
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
SMILESCCC(C)(C)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C17H23N/c1-4-17(2,3)16(18)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,4,12,18H2,1-3H3
InChIKeyAFMSOXMBLGWACW-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173
1-(2-chloropropyl)naphthalene
CID 12809422
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine?
The IUPAC name of 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine (CID 62678617) is 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine is CCC(C)(C)C(N)Cc1cccc2ccccc12.
What is the InChIKey of 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine?
The InChIKey is AFMSOXMBLGWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-17(2,3)16(18)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11,16H,4,12,18H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine?
3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine has a molecular weight of 241.38 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 3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine is sourced from PubChem (CID 62678617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).