3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

C15H26N2 — CID 54963961

IUPAC3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCc1ccc(CNC(C)CCN(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-14-6-8-15(9-7-14)12-16-13(2)10-11-17(3)4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyMJDHEDIGGYBDGR-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.68
Rot. Bonds7

About 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 54963961) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID54963961
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCc1ccc(CNC(C)CCN(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-14-6-8-15(9-7-14)12-16-13(2)10-11-17(3)4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyMJDHEDIGGYBDGR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dimethyl-3-N-[(4-methylsulfanylphenyl)methyl]butane-1,3-diamine
CID 54963566
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
3-N-[(4-bromo-3-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103581647
N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
CID 21355581
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102910480
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291267
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
CID 62339423
N-[[4-(chloromethyl)phenyl]methyl]pentan-2-amine
CID 107887675
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963960
3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol
CID 78997739

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 54963961) is 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is CCc1ccc(CNC(C)CCN(C)C)cc1.
What is the InChIKey of 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is MJDHEDIGGYBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14-6-8-15(9-7-14)12-16-13(2)10-11-17(3)4/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 54963961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).