3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile

C16H25N3O — CID 43175328

IUPAC3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile
SMILESCCC(CC#N)NCC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C16H25N3O/c1-5-14(9-10-17)18-12-16(19(2)3)13-7-6-8-15(11-13)20-4/h6-8,11,14,16,18H,5,9,12H2,1-4H3
InChIKeyVDVSWSHCYZLMDX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.58
Rot. Bonds8

About 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile

3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile (PubChem CID 43175328) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile
PubChem CID43175328
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile
SMILESCCC(CC#N)NCC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C16H25N3O/c1-5-14(9-10-17)18-12-16(19(2)3)13-7-6-8-15(11-13)20-4/h6-8,11,14,16,18H,5,9,12H2,1-4H3
InChIKeyVDVSWSHCYZLMDX-UHFFFAOYSA-N
XLogP2.58
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373348
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
4-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylbutanenitrile
CID 65248514
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
N'-but-3-ynyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 55210968
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
2-chloro-4-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]benzonitrile
CID 95699781
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
3-chloro-1-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 116907619
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile?
The IUPAC name of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile (CID 43175328) is 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile?
The canonical SMILES for 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile is CCC(CC#N)NCC(c1cccc(OC)c1)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile?
The InChIKey is VDVSWSHCYZLMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-14(9-10-17)18-12-16(19(2)3)13-7-6-8-15(11-13)20-4/h6-8,11,14,16,18H,5,9,12H2,1-4H3.
What are the key properties of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile?
3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile has a molecular weight of 275.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]pentanenitrile is sourced from PubChem (CID 43175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).