2-[ethyl(hept-6-enyl)amino]acetonitrile

C11H20N2 — CID 107007221

IUPAC2-[ethyl(hept-6-enyl)amino]acetonitrile
SMILESC=CCCCCCN(CC)CC#N
InChIInChI=1S/C11H20N2/c1-3-5-6-7-8-10-13(4-2)11-9-12/h3H,1,4-8,10-11H2,2H3
InChIKeyOYGBICIXTPPLBQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.58
Rot. Bonds8

About 2-[ethyl(hept-6-enyl)amino]acetonitrile

2-[ethyl(hept-6-enyl)amino]acetonitrile (PubChem CID 107007221) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[ethyl(hept-6-enyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[ethyl(hept-6-enyl)amino]acetonitrile
PubChem CID107007221
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-[ethyl(hept-6-enyl)amino]acetonitrile
SMILESC=CCCCCCN(CC)CC#N
InChIInChI=1S/C11H20N2/c1-3-5-6-7-8-10-13(4-2)11-9-12/h3H,1,4-8,10-11H2,2H3
InChIKeyOYGBICIXTPPLBQ-UHFFFAOYSA-N
XLogP2.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

boranylformonitrile; N,N-dimethylhex-5-en-1-amine
CID 16661506
CID 11844903
CID 11844903
N,N-dimethyl-5-hexene-1-amine
CID 16641201
Hex-5-enyl(trimethyl)azanium
CID 202894
n,n-Diethylundec-10-en-1-amine
CID 237835
CH2=CH(CH2)6N(CH3)2
CID 9989459
N,N-diethyloct-7-en-1-amine
CID 17825148
Hex-5-enyl(trihexyl)azanium
CID 77003910
N,N-diethyl-1-heptene-3-amine
CID 129658218
3-(Di-5-hexenyl)aminopropionitrile
CID 12136627
N,N-diethyloct-7-en-2-amine
CID 17824894
N,N-diethyldec-9-en-1-amine
CID 17824976

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(hept-6-enyl)amino]acetonitrile?
The IUPAC name of 2-[ethyl(hept-6-enyl)amino]acetonitrile (CID 107007221) is 2-[ethyl(hept-6-enyl)amino]acetonitrile.
What is the SMILES notation for 2-[ethyl(hept-6-enyl)amino]acetonitrile?
The canonical SMILES for 2-[ethyl(hept-6-enyl)amino]acetonitrile is C=CCCCCCN(CC)CC#N.
What is the InChIKey of 2-[ethyl(hept-6-enyl)amino]acetonitrile?
The InChIKey is OYGBICIXTPPLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-6-7-8-10-13(4-2)11-9-12/h3H,1,4-8,10-11H2,2H3.
What are the key properties of 2-[ethyl(hept-6-enyl)amino]acetonitrile?
2-[ethyl(hept-6-enyl)amino]acetonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(hept-6-enyl)amino]acetonitrile is sourced from PubChem (CID 107007221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).