N-(2-iminopropyl)but-3-en-2-imine

C7H12N2 — CID 123357717

IUPACN-(2-iminopropyl)but-3-en-2-imine
SMILES[H]/N=C(\C)C/N=C(\C)C=C
InChIInChI=1S/C7H12N2/c1-4-7(3)9-5-6(2)8/h4,8H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyDNPAPPAIJTVGGQ-CDJQDVQCSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds3

About N-(2-iminopropyl)but-3-en-2-imine

N-(2-iminopropyl)but-3-en-2-imine (PubChem CID 123357717) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(2-iminopropyl)but-3-en-2-imine.

Molecular Properties

Compound NameN-(2-iminopropyl)but-3-en-2-imine
PubChem CID123357717
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(2-iminopropyl)but-3-en-2-imine
SMILES[H]/N=C(\C)C/N=C(\C)C=C
InChIInChI=1S/C7H12N2/c1-4-7(3)9-5-6(2)8/h4,8H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyDNPAPPAIJTVGGQ-CDJQDVQCSA-N
XLogP1.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-methyl-3-pentenylidenimine
CID 123242629
Methanamine, N-(1-methyl-2-propenylidene)-
CID 12307809
N-propan-2-ylbut-3-en-2-imine
CID 13256246
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-2-(but-3-en-2-ylideneamino)ethenamine
CID 88558951
2-Ethenyliminobut-3-en-1-amine
CID 89187037
(Z)-3-ethyliminobut-1-en-1-amine
CID 89360099
(Z)-5-N-methylhex-3-ene-2,5-diimine
CID 89591069
(Z)-4-N-ethylidenebut-3-ene-2,4-diimine
CID 90382157
N-methylhexa-1,4,5-trien-3-imine
CID 91450310
N-(2-methyliminoethyl)but-3-en-2-imine
CID 118457270

Frequently Asked Questions

What is the IUPAC name of N-(2-iminopropyl)but-3-en-2-imine?
The IUPAC name of N-(2-iminopropyl)but-3-en-2-imine (CID 123357717) is N-(2-iminopropyl)but-3-en-2-imine.
What is the SMILES notation for N-(2-iminopropyl)but-3-en-2-imine?
The canonical SMILES for N-(2-iminopropyl)but-3-en-2-imine is [H]/N=C(\C)C/N=C(\C)C=C.
What is the InChIKey of N-(2-iminopropyl)but-3-en-2-imine?
The InChIKey is DNPAPPAIJTVGGQ-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(3)9-5-6(2)8/h4,8H,1,5H2,2-3H3/b8-6+,9-7+.
What are the key properties of N-(2-iminopropyl)but-3-en-2-imine?
N-(2-iminopropyl)but-3-en-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminopropyl)but-3-en-2-imine is sourced from PubChem (CID 123357717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).