4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

C15H26N2 — CID 113291267

IUPAC4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCCc1ccc(CC(CCN(C)C)NC)cc1
InChIInChI=1S/C15H26N2/c1-5-13-6-8-14(9-7-13)12-15(16-2)10-11-17(3)4/h6-9,15-16H,5,10-12H2,1-4H3
InChIKeyRFLDAJROGTXNLM-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.33
Rot. Bonds7

About 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 113291267) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID113291267
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCCc1ccc(CC(CCN(C)C)NC)cc1
InChIInChI=1S/C15H26N2/c1-5-13-6-8-14(9-7-13)12-15(16-2)10-11-17(3)4/h6-9,15-16H,5,10-12H2,1-4H3
InChIKeyRFLDAJROGTXNLM-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346323
4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963961
1-(4-ethylphenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105101340
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 83182874
4-(4-tert-butylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259266
4-(2-bromo-4-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291269
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 113291267) is 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CCc1ccc(CC(CCN(C)C)NC)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is RFLDAJROGTXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13-6-8-14(9-7-13)12-15(16-2)10-11-17(3)4/h6-9,15-16H,5,10-12H2,1-4H3.
What are the key properties of 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 113291267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).