2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol

C18H25NO — CID 103905431

IUPAC2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
SMILESCC(CO)CCCNC(C)c1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-14(13-20)7-6-12-19-15(2)17-11-5-9-16-8-3-4-10-18(16)17/h3-5,8-11,14-15,19-20H,6-7,12-13H2,1-2H3
InChIKeyVETASAALOIZGPC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.90
Rot. Bonds7

About 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol

2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol (PubChem CID 103905431) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
PubChem CID103905431
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
SMILESCC(CO)CCCNC(C)c1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-14(13-20)7-6-12-19-15(2)17-11-5-9-16-8-3-4-10-18(16)17/h3-5,8-11,14-15,19-20H,6-7,12-13H2,1-2H3
InChIKeyVETASAALOIZGPC-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
[5-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]carbamic acid
CID 87552764
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
CID 130392686
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol (CID 103905431) is 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol is CC(CO)CCCNC(C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol?
The InChIKey is VETASAALOIZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(13-20)7-6-12-19-15(2)17-11-5-9-16-8-3-4-10-18(16)17/h3-5,8-11,14-15,19-20H,6-7,12-13H2,1-2H3.
What are the key properties of 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol?
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol is sourced from PubChem (CID 103905431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).