1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine

C15H26N2 — CID 62462960

IUPAC1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccccc1C
InChIInChI=1S/C15H26N2/c1-13-8-5-6-10-15(13)12-17(4)14(2)9-7-11-16-3/h5-6,8,10,14,16H,7,9,11-12H2,1-4H3
InChIKeyXZQORIPJRFAJKU-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.81
Rot. Bonds7

About 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine

1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine (PubChem CID 62462960) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
PubChem CID62462960
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccccc1C
InChIInChI=1S/C15H26N2/c1-13-8-5-6-10-15(13)12-17(4)14(2)9-7-11-16-3/h5-6,8,10,14,16H,7,9,11-12H2,1-4H3
InChIKeyXZQORIPJRFAJKU-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62411375
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62437144
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412616
N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine (CID 62462960) is 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine is CNCCCC(C)N(C)Cc1ccccc1C.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The InChIKey is XZQORIPJRFAJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13-8-5-6-10-15(13)12-17(4)14(2)9-7-11-16-3/h5-6,8,10,14,16H,7,9,11-12H2,1-4H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 62462960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).