1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine

C17H28N2 — CID 116506399

IUPAC1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H28N2/c1-4-18-17(12-13-19(2)3)16-10-8-15(9-11-16)14-6-5-7-14/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyKJWOXFXYBRMQGD-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.56
Rot. Bonds7

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

1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 116506399) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID116506399
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
SMILESCCNC(CCN(C)C)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H28N2/c1-4-18-17(12-13-19(2)3)16-10-8-15(9-11-16)14-6-5-7-14/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyKJWOXFXYBRMQGD-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.56
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-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 116506059
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116506013
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
N'-[2-(dimethylamino)ethyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63700866
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine (CID 116506399) is 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is CCNC(CCN(C)C)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KJWOXFXYBRMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-17(12-13-19(2)3)16-10-8-15(9-11-16)14-6-5-7-14/h8-11,14,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine?
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116506399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).