2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile

C10H18N4 — CID 119089961

IUPAC2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile
SMILESCCN(CC#N)CCN(CC)CC#N
InChIInChI=1S/C10H18N4/c1-3-13(7-5-11)9-10-14(4-2)8-6-12/h3-4,7-10H2,1-2H3
InChIKeyDIZFXZGHRUSYAW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.68
Rot. Bonds7

About 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile

2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile (PubChem CID 119089961) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile
PubChem CID119089961
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile
SMILESCCN(CC#N)CCN(CC)CC#N
InChIInChI=1S/C10H18N4/c1-3-13(7-5-11)9-10-14(4-2)8-6-12/h3-4,7-10H2,1-2H3
InChIKeyDIZFXZGHRUSYAW-UHFFFAOYSA-N
XLogP0.68
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-[2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]amino]acetonitrile
CID 155002501
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
2-[cyanomethyl(pentyl)amino]acetonitrile
CID 88709029
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
CID 13466318
CID 13466318
cyanic acid;N,N-diethylethanamine
CID 14848642
bis(N,N-diethylethanamine);dihydrate
CID 173331052
2-[cyanomethyl-[3-(ethylamino)propyl]amino]acetonitrile
CID 61386763
7-(diethylamino)heptanenitrile
CID 3857194
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile
CID 87212598
methyl 3-[cyanomethyl(ethyl)amino]-2,2-dimethylpropanoate
CID 79623688

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile?
The IUPAC name of 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile (CID 119089961) is 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile?
The canonical SMILES for 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile is CCN(CC#N)CCN(CC)CC#N.
What is the InChIKey of 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile?
The InChIKey is DIZFXZGHRUSYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-13(7-5-11)9-10-14(4-2)8-6-12/h3-4,7-10H2,1-2H3.
What are the key properties of 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile?
2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile has a molecular weight of 194.28 g/mol, XLogP of 0.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyanomethyl(ethyl)amino]ethyl-ethylamino]acetonitrile is sourced from PubChem (CID 119089961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).