2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile

C11H22N4 — CID 117004768

IUPAC2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
SMILESCN(C)CCN1CCCC(NCC#N)C1
InChIInChI=1S/C11H22N4/c1-14(2)8-9-15-7-3-4-11(10-15)13-6-5-12/h11,13H,3-4,6-10H2,1-2H3
InChIKeyNDMJHNXLKHEGSM-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.13
Rot. Bonds5

About 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile

2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile (PubChem CID 117004768) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
PubChem CID117004768
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
SMILESCN(C)CCN1CCCC(NCC#N)C1
InChIInChI=1S/C11H22N4/c1-14(2)8-9-15-7-3-4-11(10-15)13-6-5-12/h11,13H,3-4,6-10H2,1-2H3
InChIKeyNDMJHNXLKHEGSM-UHFFFAOYSA-N
XLogP0.13
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407
2-(3-chloropiperidin-1-yl)-N,N-dimethylethanamine
CID 63387040
2-[(1-propan-2-ylpiperidin-3-yl)amino]acetonitrile
CID 117004759
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-methylamino]acetonitrile
CID 117004565
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 117004168
2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile
CID 83998178
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile
CID 83998870
2-[[1-(3,5-dimethylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004784
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile (CID 117004768) is 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile is CN(C)CCN1CCCC(NCC#N)C1.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile?
The InChIKey is NDMJHNXLKHEGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-14(2)8-9-15-7-3-4-11(10-15)13-6-5-12/h11,13H,3-4,6-10H2,1-2H3.
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile?
2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile has a molecular weight of 210.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile is sourced from PubChem (CID 117004768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).