1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine

C14H24N2 — CID 115203780

IUPAC1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine
SMILESCCc1ccc(CNCCCC(C)N)cc1
InChIInChI=1S/C14H24N2/c1-3-13-6-8-14(9-7-13)11-16-10-4-5-12(2)15/h6-9,12,16H,3-5,10-11,15H2,1-2H3
InChIKeySAYYHVNSOOMULE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.47
Rot. Bonds7

About 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine

1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine (PubChem CID 115203780) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine
PubChem CID115203780
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine
SMILESCCc1ccc(CNCCCC(C)N)cc1
InChIInChI=1S/C14H24N2/c1-3-13-6-8-14(9-7-13)11-16-10-4-5-12(2)15/h6-9,12,16H,3-5,10-11,15H2,1-2H3
InChIKeySAYYHVNSOOMULE-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.47
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

1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031
N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201878
3-chloro-N-[(4-ethylphenyl)methyl]propan-1-amine
CID 60663290
N,N'-bis[3-[(4-ethylphenyl)methylamino]propyl]octane-1,8-diamine;tetrahydrochloride
CID 14791320
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
N-[(4-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038802
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
5-[(4-fluorophenyl)methylamino]pentan-2-ol
CID 107267828
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine (CID 115203780) is 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine is CCc1ccc(CNCCCC(C)N)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine?
The InChIKey is SAYYHVNSOOMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-13-6-8-14(9-7-13)11-16-10-4-5-12(2)15/h6-9,12,16H,3-5,10-11,15H2,1-2H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine?
1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 115203780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).