N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine

C15H26N2 — CID 54965709

IUPACN'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
SMILESCCN(CCCCCN)Cc1ccccc1C
InChIInChI=1S/C15H26N2/c1-3-17(12-8-4-7-11-16)13-15-10-6-5-9-14(15)2/h5-6,9-10H,3-4,7-8,11-13,16H2,1-2H3
InChIKeySZXBRPQIDUALHX-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.95
Rot. Bonds8

About N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine

N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine (PubChem CID 54965709) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
PubChem CID54965709
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
SMILESCCN(CCCCCN)Cc1ccccc1C
InChIInChI=1S/C15H26N2/c1-3-17(12-8-4-7-11-16)13-15-10-6-5-9-14(15)2/h5-6,9-10H,3-4,7-8,11-13,16H2,1-2H3
InChIKeySZXBRPQIDUALHX-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 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 ≤ 52.95
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

N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
2,5-bis[6-[ethyl-[(2-methylphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23625036
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
N',N'-diethylnonane-1,9-diamine
CID 22055140
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 43588378
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43458817
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine?
The IUPAC name of N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine (CID 54965709) is N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine?
The canonical SMILES for N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine is CCN(CCCCCN)Cc1ccccc1C.
What is the InChIKey of N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine?
The InChIKey is SZXBRPQIDUALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-17(12-8-4-7-11-16)13-15-10-6-5-9-14(15)2/h5-6,9-10H,3-4,7-8,11-13,16H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine?
N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine is sourced from PubChem (CID 54965709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).