1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine

C17H27ClN2 — CID 63633035

IUPAC1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)CC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-19-17(15-8-5-9-16(18)12-15)10-11-20(2)13-14-6-3-4-7-14/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyPOZUXLUXYLABBR-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds7

About 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 63633035) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID63633035
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCNC(CCN(C)CC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-19-17(15-8-5-9-16(18)12-15)10-11-20(2)13-14-6-3-4-7-14/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyPOZUXLUXYLABBR-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114953529
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine (CID 63633035) is 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine is CNC(CCN(C)CC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is POZUXLUXYLABBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-19-17(15-8-5-9-16(18)12-15)10-11-20(2)13-14-6-3-4-7-14/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63633035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).