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

C15H26N2 — CID 116950168

IUPAC1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCCc1ccc(C(CCC(C)(C)N)NC)cc1
InChIInChI=1S/C15H26N2/c1-5-12-6-8-13(9-7-12)14(17-4)10-11-15(2,3)16/h6-9,14,17H,5,10-11,16H2,1-4H3
InChIKeyHYCILZPFAINPEI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds6

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

1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 116950168) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
PubChem CID116950168
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
SMILESCCc1ccc(C(CCC(C)(C)N)NC)cc1
InChIInChI=1S/C15H26N2/c1-5-12-6-8-13(9-7-12)14(17-4)10-11-15(2,3)16/h6-9,14,17H,5,10-11,16H2,1-4H3
InChIKeyHYCILZPFAINPEI-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950190
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645
1-(3-bromophenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950243
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
CID 66234501
2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950192

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine (CID 116950168) is 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine is CCc1ccc(C(CCC(C)(C)N)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is HYCILZPFAINPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-12-6-8-13(9-7-12)14(17-4)10-11-15(2,3)16/h6-9,14,17H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine?
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 116950168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).