4-(3-methylbutyl)morpholine-3-carbonitrile

C10H18N2O — CID 117009038

IUPAC4-(3-methylbutyl)morpholine-3-carbonitrile
SMILESCC(C)CCN1CCOCC1C#N
InChIInChI=1S/C10H18N2O/c1-9(2)3-4-12-5-6-13-8-10(12)7-11/h9-10H,3-6,8H2,1-2H3
InChIKeyUBUNQHVLZFCSQS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds3

About 4-(3-methylbutyl)morpholine-3-carbonitrile

4-(3-methylbutyl)morpholine-3-carbonitrile (PubChem CID 117009038) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(3-methylbutyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methylbutyl)morpholine-3-carbonitrile
PubChem CID117009038
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(3-methylbutyl)morpholine-3-carbonitrile
SMILESCC(C)CCN1CCOCC1C#N
InChIInChI=1S/C10H18N2O/c1-9(2)3-4-12-5-6-13-8-10(12)7-11/h9-10H,3-6,8H2,1-2H3
InChIKeyUBUNQHVLZFCSQS-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylbutyl)morpholine-3-carbonitrile 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

4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile
CID 117009025
4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile
CID 130634766
(3S)-4-(3-methylbutyl)-3-(1,2,4-oxadiazol-3-yl)morpholine
CID 97344802
(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile
CID 124516636
4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)ethyl]morpholine-3-carbonitrile
CID 154799869
(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile
CID 97056228
(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
CID 129371054
4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile
CID 75504066
N-[2-(3-ethylmorpholin-4-yl)ethyl]-3-methylbutan-1-amine
CID 62561761
4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile
CID 117009081
(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
CID 175315044
1-methyl-4-(2-methylpropyl)piperazine-2-carbonitrile
CID 126991367

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(3-methylbutyl)morpholine-3-carbonitrile (CID 117009038) is 4-(3-methylbutyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(3-methylbutyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(3-methylbutyl)morpholine-3-carbonitrile is CC(C)CCN1CCOCC1C#N.
What is the InChIKey of 4-(3-methylbutyl)morpholine-3-carbonitrile?
The InChIKey is UBUNQHVLZFCSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)3-4-12-5-6-13-8-10(12)7-11/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)morpholine-3-carbonitrile?
4-(3-methylbutyl)morpholine-3-carbonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)morpholine-3-carbonitrile is sourced from PubChem (CID 117009038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).