1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C18H30N2 — CID 116506276

IUPAC1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-20(5-2)14-13-18(19-3)17-11-9-16(10-12-17)15-7-6-8-15/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyBPMJPWSNLPXHNU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.95
Rot. Bonds8

About 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 116506276) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID116506276
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-20(5-2)14-13-18(19-3)17-11-9-16(10-12-17)15-7-6-8-15/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyBPMJPWSNLPXHNU-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
CID 116955276
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 116506276) is 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is BPMJPWSNLPXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(5-2)14-13-18(19-3)17-11-9-16(10-12-17)15-7-6-8-15/h9-12,15,18-19H,4-8,13-14H2,1-3H3.
What are the key properties of 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 116506276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).