4-[cyclopropylmethyl(propyl)amino]butanenitrile

C11H20N2 — CID 60689301

IUPAC4-[cyclopropylmethyl(propyl)amino]butanenitrile
SMILESCCCN(CCCC#N)CC1CC1
InChIInChI=1S/C11H20N2/c1-2-8-13(9-4-3-7-12)10-11-5-6-11/h11H,2-6,8-10H2,1H3
InChIKeyHWVKVLPLIXQOPZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds7

About 4-[cyclopropylmethyl(propyl)amino]butanenitrile

4-[cyclopropylmethyl(propyl)amino]butanenitrile (PubChem CID 60689301) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]butanenitrile
PubChem CID60689301
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-[cyclopropylmethyl(propyl)amino]butanenitrile
SMILESCCCN(CCCC#N)CC1CC1
InChIInChI=1S/C11H20N2/c1-2-8-13(9-4-3-7-12)10-11-5-6-11/h11H,2-6,8-10H2,1H3
InChIKeyHWVKVLPLIXQOPZ-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Diethylaminobutyronitrile
CID 79262
4-Dipropylaminobutyronitrile
CID 98747
4-(Dibutylamino)butyronitrile
CID 52348
beta-(Diethylamino)isobutyronitrile
CID 6454522
4-[Butyl(ethyl)amino]butanenitrile
CID 24694367
3-Cyanopropyl-ethyl-dimethylazanium
CID 56577
3-Cyanopropyl-dimethyl-propylazanium
CID 56649
Bis(3-cyanopropyl)-dimethylazanium
CID 56758
2-[[Cyclopropylmethyl(propyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367784
2-[(Diethylamino)methyl]cyclopropanecarbonitrile
CID 20031339
4-[4-[Ethyl(methyl)amino]butyl-methylamino]butanenitrile
CID 21023875
3-Cyanopropyl(triethyl)azanium
CID 21326202

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]butanenitrile?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]butanenitrile (CID 60689301) is 4-[cyclopropylmethyl(propyl)amino]butanenitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]butanenitrile?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]butanenitrile is CCCN(CCCC#N)CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]butanenitrile?
The InChIKey is HWVKVLPLIXQOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-8-13(9-4-3-7-12)10-11-5-6-11/h11H,2-6,8-10H2,1H3.
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]butanenitrile?
4-[cyclopropylmethyl(propyl)amino]butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]butanenitrile is sourced from PubChem (CID 60689301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).