3-[(1-ethylcyclopropyl)methylamino]butanenitrile

C10H18N2 — CID 103734809

IUPAC3-[(1-ethylcyclopropyl)methylamino]butanenitrile
SMILESCCC1(CNC(C)CC#N)CC1
InChIInChI=1S/C10H18N2/c1-3-10(5-6-10)8-12-9(2)4-7-11/h9,12H,3-6,8H2,1-2H3
InChIKeyGECAMZSMBHJJRW-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds5

About 3-[(1-ethylcyclopropyl)methylamino]butanenitrile

3-[(1-ethylcyclopropyl)methylamino]butanenitrile (PubChem CID 103734809) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[(1-ethylcyclopropyl)methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(1-ethylcyclopropyl)methylamino]butanenitrile
PubChem CID103734809
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[(1-ethylcyclopropyl)methylamino]butanenitrile
SMILESCCC1(CNC(C)CC#N)CC1
InChIInChI=1S/C10H18N2/c1-3-10(5-6-10)8-12-9(2)4-7-11/h9,12H,3-6,8H2,1-2H3
InChIKeyGECAMZSMBHJJRW-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1-ethylcyclopropyl)methylamino]butanenitrile 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

N-[(1-ethylcyclopropyl)methyl]pentan-2-amine
CID 103903056
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
3-[(1-methylcycloheptyl)methylamino]butanenitrile
CID 115909164
(3R)-3-(ethylamino)butanenitrile
CID 93383163
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanenitrile
CID 78924428
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
CID 65495825
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 113262743
1-cyclohexyl-N-[(1-ethylcyclopropyl)methyl]ethanamine;hydrochloride
CID 115683925
4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
CID 104862215
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclopropyl)methylamino]butanenitrile?
The IUPAC name of 3-[(1-ethylcyclopropyl)methylamino]butanenitrile (CID 103734809) is 3-[(1-ethylcyclopropyl)methylamino]butanenitrile.
What is the SMILES notation for 3-[(1-ethylcyclopropyl)methylamino]butanenitrile?
The canonical SMILES for 3-[(1-ethylcyclopropyl)methylamino]butanenitrile is CCC1(CNC(C)CC#N)CC1.
What is the InChIKey of 3-[(1-ethylcyclopropyl)methylamino]butanenitrile?
The InChIKey is GECAMZSMBHJJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-10(5-6-10)8-12-9(2)4-7-11/h9,12H,3-6,8H2,1-2H3.
What are the key properties of 3-[(1-ethylcyclopropyl)methylamino]butanenitrile?
3-[(1-ethylcyclopropyl)methylamino]butanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopropyl)methylamino]butanenitrile is sourced from PubChem (CID 103734809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).