3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile

C10H18N2 — CID 114449033

IUPAC3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile
SMILESC=C(C)CCN(CC)CCC#N
InChIInChI=1S/C10H18N2/c1-4-12(8-5-7-11)9-6-10(2)3/h2,4-6,8-9H2,1,3H3
InChIKeyRYHTYGBWRFUROB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.19
Rot. Bonds6

About 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile

3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile (PubChem CID 114449033) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile
PubChem CID114449033
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile
SMILESC=C(C)CCN(CC)CCC#N
InChIInChI=1S/C10H18N2/c1-4-12(8-5-7-11)9-6-10(2)3/h2,4-6,8-9H2,1,3H3
InChIKeyRYHTYGBWRFUROB-UHFFFAOYSA-N
XLogP2.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-methylbut-3-enyl(propan-2-yl)amino]propanenitrile
CID 114449032
3-[ethyl-[2-(sulfanylmethyl)prop-2-enyl]amino]propanenitrile
CID 103073412
tert-butyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 115669561
hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 66337129
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
3-[3,3-diethoxypropyl(ethyl)amino]propanenitrile
CID 63628604
5-[ethyl(3-hydroxypropyl)amino]pentanenitrile
CID 115666448
N-ethyl-3-methylidene-N-propylhexan-1-amine
CID 167115733
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
CID 114473392
3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile
CID 103722467
3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900827

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile (CID 114449033) is 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile is C=C(C)CCN(CC)CCC#N.
What is the InChIKey of 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile?
The InChIKey is RYHTYGBWRFUROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12(8-5-7-11)9-6-10(2)3/h2,4-6,8-9H2,1,3H3.
What are the key properties of 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile?
3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile is sourced from PubChem (CID 114449033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).