1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine

C19H32N2 — CID 116506277

IUPAC1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H32N2/c1-4-20-19(14-15-21(5-2)6-3)18-12-10-17(11-13-18)16-8-7-9-16/h10-13,16,19-20H,4-9,14-15H2,1-3H3
InChIKeyKOJFVINUTHNHAT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.34
Rot. Bonds9

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

1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 116506277) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID116506277
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H32N2/c1-4-20-19(14-15-21(5-2)6-3)18-12-10-17(11-13-18)16-8-7-9-16/h10-13,16,19-20H,4-9,14-15H2,1-3H3
InChIKeyKOJFVINUTHNHAT-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'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 116506059
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116506013

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine (CID 116506277) is 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is KOJFVINUTHNHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-19(14-15-21(5-2)6-3)18-12-10-17(11-13-18)16-8-7-9-16/h10-13,16,19-20H,4-9,14-15H2,1-3H3.
What are the key properties of 1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(4-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-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 116506277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).