5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine

C16H22N2O — CID 103387010

IUPAC5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cccc2ccccc12
InChIInChI=1S/C16H22N2O/c1-19-12-14(8-5-11-17)18-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12,17H2,1H3
InChIKeyYRQGYQCKRBHOGO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.01
Rot. Bonds7

About 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine

5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine (PubChem CID 103387010) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
PubChem CID103387010
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cccc2ccccc12
InChIInChI=1S/C16H22N2O/c1-19-12-14(8-5-11-17)18-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12,17H2,1H3
InChIKeyYRQGYQCKRBHOGO-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-bromo-2-(methoxymethyl)phenyl]-5-methoxypentane-1,4-diamine
CID 103389429
5-methoxy-4-N-(2-methyl-3-nitrophenyl)pentane-1,4-diamine
CID 103388500
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
CID 141020858
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
5-methoxy-4-N-(3-methylsulfanylphenyl)pentane-1,4-diamine
CID 103387005
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
3-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 103388445

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine (CID 103387010) is 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine is COCC(CCCN)Nc1cccc2ccccc12.
What is the InChIKey of 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine?
The InChIKey is YRQGYQCKRBHOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-19-12-14(8-5-11-17)18-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,18H,5,8,11-12,17H2,1H3.
What are the key properties of 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine?
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine is sourced from PubChem (CID 103387010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).