1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine

C19H32N2 — CID 114603814

IUPAC1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccc(C2CCC2)c1
InChIInChI=1S/C19H32N2/c1-4-20-19(13-14-21(5-2)6-3)18-12-8-11-17(15-18)16-9-7-10-16/h8,11-12,15-16,19-20H,4-7,9-10,13-14H2,1-3H3
InChIKeyGOLOSPVJLHOGNJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.34
Rot. Bonds9

About 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine

1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 114603814) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID114603814
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccc(C2CCC2)c1
InChIInChI=1S/C19H32N2/c1-4-20-19(13-14-21(5-2)6-3)18-12-8-11-17(15-18)16-9-7-10-16/h8,11-12,15-16,19-20H,4-7,9-10,13-14H2,1-3H3
InChIKeyGOLOSPVJLHOGNJ-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.34
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
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
1-(3-cyclobutylphenyl)-2-(cyclohexen-1-yl)-N-ethylethanamine
CID 114604658
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine (CID 114603814) is 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is GOLOSPVJLHOGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-19(13-14-21(5-2)6-3)18-12-8-11-17(15-18)16-9-7-10-16/h8,11-12,15-16,19-20H,4-7,9-10,13-14H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 114603814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).