1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine

C17H29ClN2 — CID 62630282

IUPAC1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C(C)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-13(17(2,3)4)20(6)11-10-16(19-5)14-8-7-9-15(18)12-14/h7-9,12-13,16,19H,10-11H2,1-6H3
InChIKeyWSVQUGMADMVXSQ-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.36
Rot. Bonds6

About 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 62630282) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID62630282
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C(C)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-13(17(2,3)4)20(6)11-10-16(19-5)14-8-7-9-15(18)12-14/h7-9,12-13,16,19H,10-11H2,1-6H3
InChIKeyWSVQUGMADMVXSQ-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine (CID 62630282) is 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)C(C)C(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is WSVQUGMADMVXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-13(17(2,3)4)20(6)11-10-16(19-5)14-8-7-9-15(18)12-14/h7-9,12-13,16,19H,10-11H2,1-6H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62630282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).