1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine

C15H26N2 — CID 62001526

IUPAC1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2/c1-5-11-15(3,16)12-17(4)14-9-7-13(6-2)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyOKCCWAMQEJCPNI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.20
Rot. Bonds6

About 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine

1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine (PubChem CID 62001526) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
PubChem CID62001526
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2/c1-5-11-15(3,16)12-17(4)14-9-7-13(6-2)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3
InChIKeyOKCCWAMQEJCPNI-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 62258743
2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol
CID 64789557
1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
CID 79810832
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66454727
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 61415050
(4-ethyl-N-methylanilino)methanethiol
CID 115227706
4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol
CID 62263583
4-(4-ethyl-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65248225
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
2-amino-2-methyl-3-(N-methylanilino)propan-1-ol
CID 64798650
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine (CID 62001526) is 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine is CCCC(C)(N)CN(C)c1ccc(CC)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine?
The InChIKey is OKCCWAMQEJCPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-11-15(3,16)12-17(4)14-9-7-13(6-2)8-10-14/h7-10H,5-6,11-12,16H2,1-4H3.
What are the key properties of 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine?
1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine is sourced from PubChem (CID 62001526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).