2,4-dimethylpent-3-en-2-amine;oxalonitrile

C9H15N3 — CID 174484550

IUPAC2,4-dimethylpent-3-en-2-amine;oxalonitrile
SMILESCC(C)=CC(C)(C)N.N#CC#N
InChIInChI=1S/C7H15N.C2N2/c1-6(2)5-7(3,4)8;3-1-2-4/h5H,8H2,1-4H3;
InChIKeyBCRKPCSCVZVESA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds1

About 2,4-dimethylpent-3-en-2-amine;oxalonitrile

2,4-dimethylpent-3-en-2-amine;oxalonitrile (PubChem CID 174484550) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,4-dimethylpent-3-en-2-amine;oxalonitrile.

Molecular Properties

Compound Name2,4-dimethylpent-3-en-2-amine;oxalonitrile
PubChem CID174484550
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2,4-dimethylpent-3-en-2-amine;oxalonitrile
SMILESCC(C)=CC(C)(C)N.N#CC#N
InChIInChI=1S/C7H15N.C2N2/c1-6(2)5-7(3,4)8;3-1-2-4/h5H,8H2,1-4H3;
InChIKeyBCRKPCSCVZVESA-UHFFFAOYSA-N
XLogP1.72
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethylpent-3-en-2-amine
CID 12707366
4-Amino-4-methylcyclohexa-2,5-diene-1-carbonitrile
CID 67338358
2,3-Dimethylpent-3-en-2-amine
CID 87684474
(E)-2,3-dimethylpent-3-en-2-amine
CID 88102038
5-Amino-2-ethylidene-3,5-dimethylhex-3-enenitrile
CID 91279567
(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile
CID 130242971
(2Z,5Z)-4-methylhepta-2,5-dien-4-amine
CID 141876132
(3S)-3-amino-3-methylcyclohepta-1,4,6-triene-1-carbonitrilium
CID 142495015
4-Methylpent-3-ene-2,2-diamine
CID 143085941
(2E,5Z)-4-amino-2-ethenyl-4-methylocta-2,5-dienenitrile
CID 144309250
(Z)-2,4-dimethylhex-3-en-2-amine
CID 149413756
3-Amino-3-methylcyclohepta-1,4,6-triene-1-carbonitrile
CID 155110578

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-3-en-2-amine;oxalonitrile?
The IUPAC name of 2,4-dimethylpent-3-en-2-amine;oxalonitrile (CID 174484550) is 2,4-dimethylpent-3-en-2-amine;oxalonitrile.
What is the SMILES notation for 2,4-dimethylpent-3-en-2-amine;oxalonitrile?
The canonical SMILES for 2,4-dimethylpent-3-en-2-amine;oxalonitrile is CC(C)=CC(C)(C)N.N#CC#N.
What is the InChIKey of 2,4-dimethylpent-3-en-2-amine;oxalonitrile?
The InChIKey is BCRKPCSCVZVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2N2/c1-6(2)5-7(3,4)8;3-1-2-4/h5H,8H2,1-4H3;.
What are the key properties of 2,4-dimethylpent-3-en-2-amine;oxalonitrile?
2,4-dimethylpent-3-en-2-amine;oxalonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-3-en-2-amine;oxalonitrile is sourced from PubChem (CID 174484550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).