N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine

C9H14N2 — CID 123171600

IUPACN-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine
SMILESC=CC(C)=NCN=C(C)C=C
InChIInChI=1S/C9H14N2/c1-5-8(3)10-7-11-9(4)6-2/h5-6H,1-2,7H2,3-4H3
InChIKeyDIOMUXGSMOSFEP-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.24
Rot. Bonds4

About N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine

N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine (PubChem CID 123171600) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine
PubChem CID123171600
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine
SMILESC=CC(C)=NCN=C(C)C=C
InChIInChI=1S/C9H14N2/c1-5-8(3)10-7-11-9(4)6-2/h5-6H,1-2,7H2,3-4H3
InChIKeyDIOMUXGSMOSFEP-UHFFFAOYSA-N
XLogP2.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 1,4-benzoquinone diimine
CID 18730289
Methanamine, N-(1-methyl-2-propenylidene)-
CID 12307809
1-N,2-N-dimethylcyclohexa-3,4,5-triene-1,2-diimine
CID 20718665
N-but-3-en-2-ylidene-N'-methylmethanimidamide
CID 90046057
N-methylhexa-1,4,5-trien-3-imine
CID 91450310
N-(2-methyliminoethyl)but-3-en-2-imine
CID 118457270
Pent-1-en-3-ylidenecyanamide
CID 122608342
N-(2-iminopropyl)but-3-en-2-imine
CID 123357717
N-propylbut-3-en-2-imine
CID 123402465
N-ethylpenta-1,4-dien-3-imine
CID 123426753
2-N-methyl-1-N-propylbut-3-ene-1,2-diimine
CID 123553502
N-butylbut-3-en-2-imine
CID 123746892

Frequently Asked Questions

What is the IUPAC name of N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine?
The IUPAC name of N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine (CID 123171600) is N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine.
What is the SMILES notation for N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine?
The canonical SMILES for N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine is C=CC(C)=NCN=C(C)C=C.
What is the InChIKey of N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine?
The InChIKey is DIOMUXGSMOSFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(3)10-7-11-9(4)6-2/h5-6H,1-2,7H2,3-4H3.
What are the key properties of N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine?
N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(but-3-en-2-ylideneamino)methyl]but-3-en-2-imine is sourced from PubChem (CID 123171600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).