3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile

C12H23N3 — CID 78924428

IUPAC3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
SMILESCC(CC#N)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H23N3/c1-11(6-9-13)14-10-12(15(2)3)7-4-5-8-12/h11,14H,4-8,10H2,1-3H3
InChIKeyFVKBQKBGNHUSMN-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.75
Rot. Bonds5

About 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile

3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile (PubChem CID 78924428) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
PubChem CID78924428
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
SMILESCC(CC#N)NCC1(N(C)C)CCCC1
InChIInChI=1S/C12H23N3/c1-11(6-9-13)14-10-12(15(2)3)7-4-5-8-12/h11,14H,4-8,10H2,1-3H3
InChIKeyFVKBQKBGNHUSMN-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile (CID 78924428) is 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile is CC(CC#N)NCC1(N(C)C)CCCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
The InChIKey is FVKBQKBGNHUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(6-9-13)14-10-12(15(2)3)7-4-5-8-12/h11,14H,4-8,10H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile?
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile is sourced from PubChem (CID 78924428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).