4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol

C16H21NO — CID 66089361

IUPAC4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
SMILESCC(N)C(C)(CCO)c1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-12(17)16(2,10-11-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,18H,10-11,17H2,1-2H3
InChIKeyINVZLSHXLSHKMF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds4

About 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol

4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol (PubChem CID 66089361) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
PubChem CID66089361
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
SMILESCC(N)C(C)(CCO)c1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-12(17)16(2,10-11-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,18H,10-11,17H2,1-2H3
InChIKeyINVZLSHXLSHKMF-UHFFFAOYSA-N
XLogP2.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
CID 113389401
3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
CID 22486889
3-naphthalen-1-yl-3-(propylamino)butan-1-ol
CID 65234850
4-amino-3-(furan-2-yl)-3-methylpentan-1-ol
CID 66089828
N,4-dimethyl-4-naphthalen-1-ylpentan-2-amine
CID 64718281
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054
2-methyl-5-naphthalen-1-ylhex-3-yne-2,5-diol
CID 3762729

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol?
The IUPAC name of 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol (CID 66089361) is 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol.
What is the SMILES notation for 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol?
The canonical SMILES for 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol is CC(N)C(C)(CCO)c1cccc2ccccc12.
What is the InChIKey of 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol?
The InChIKey is INVZLSHXLSHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(17)16(2,10-11-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,18H,10-11,17H2,1-2H3.
What are the key properties of 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol?
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol is sourced from PubChem (CID 66089361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).