3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine

C9H14N2 — CID 123610497

IUPAC3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine
SMILESC=CC(=C)C(C)=NN=C(C)C
InChIInChI=1S/C9H14N2/c1-6-8(4)9(5)11-10-7(2)3/h6H,1,4H2,2-3,5H3
InChIKeyKVSOBGBNLAYXKJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.59
Rot. Bonds3

About 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine

3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine (PubChem CID 123610497) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine.

Molecular Properties

Compound Name3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine
PubChem CID123610497
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine
SMILESC=CC(=C)C(C)=NN=C(C)C
InChIInChI=1S/C9H14N2/c1-6-8(4)9(5)11-10-7(2)3/h6H,1,4H2,2-3,5H3
InChIKeyKVSOBGBNLAYXKJ-UHFFFAOYSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
CID 15914369
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
(2Z,4Z)-6-methylideneocta-2,4,7-triene-2,5-diamine
CID 144645278
5-ethyl-3,4-dimethylidenehepta-1,5-diene
CID 91458758
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
CID 143760163
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
formonitrile;2-methylbuta-1,3-diene
CID 159945395
N'-(propan-2-ylideneamino)ethanimidamide
CID 85440843
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine?
The IUPAC name of 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine (CID 123610497) is 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine.
What is the SMILES notation for 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine?
The canonical SMILES for 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine is C=CC(=C)C(C)=NN=C(C)C.
What is the InChIKey of 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine?
The InChIKey is KVSOBGBNLAYXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-8(4)9(5)11-10-7(2)3/h6H,1,4H2,2-3,5H3.
What are the key properties of 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine?
3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine is sourced from PubChem (CID 123610497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).