4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine

C15H26N2 — CID 62418482

IUPAC4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
SMILESCCN(Cc1ccccc1)C(C)CCCNC
InChIInChI=1S/C15H26N2/c1-4-17(14(2)9-8-12-16-3)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3
InChIKeyBNDSTKIIYJQFQW-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.90
Rot. Bonds8

About 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine

4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine (PubChem CID 62418482) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
PubChem CID62418482
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
SMILESCCN(Cc1ccccc1)C(C)CCCNC
InChIInChI=1S/C15H26N2/c1-4-17(14(2)9-8-12-16-3)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3
InChIKeyBNDSTKIIYJQFQW-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.90
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

3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
(4S)-4-N,4-N-dibenzyl-1-N,1-N-diethylpentane-1,4-diamine
CID 155935553
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
CID 55074275
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62411375
4-N-ethyl-1-N-methyl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62428039
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55089287
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine (CID 62418482) is 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine is CCN(Cc1ccccc1)C(C)CCCNC.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine?
The InChIKey is BNDSTKIIYJQFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-17(14(2)9-8-12-16-3)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3.
What are the key properties of 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine?
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62418482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).