N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine

C13H22N2 — CID 123388154

IUPACN-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine
SMILESC=C(/N=C(\C)CC)/C(=C\N=C(C)C)CC
InChIInChI=1S/C13H22N2/c1-7-11(5)15-12(6)13(8-2)9-14-10(3)4/h9H,6-8H2,1-5H3/b13-9-,15-11+
InChIKeyVXLSSYGFNAWXHZ-IXDRHEJISA-N
MW206.33 g/mol
LogP4.15
Rot. Bonds5

About N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine

N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine (PubChem CID 123388154) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine
PubChem CID123388154
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine
SMILESC=C(/N=C(\C)CC)/C(=C\N=C(C)C)CC
InChIInChI=1S/C13H22N2/c1-7-11(5)15-12(6)13(8-2)9-14-10(3)4/h9H,6-8H2,1-5H3/b13-9-,15-11+
InChIKeyVXLSSYGFNAWXHZ-IXDRHEJISA-N
XLogP4.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-2-methylbut-1-enyl]iminopent-1-en-2-amine
CID 89224443
N-[(1E)-3-methyl-2-(propan-2-ylideneamino)buta-1,3-dienyl]propan-2-imine
CID 123203094
N-[(3E)-4-(ethylideneamino)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
CID 123400810
N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123590724
(1E)-3-methyl-1-(propan-2-ylideneamino)buta-1,3-dien-2-amine
CID 144211940
3-Methylidene-4-(2-methylprop-1-enylimino)pent-1-en-2-amine
CID 167079237
(Z)-3-methylidene-2-(propylideneamino)pent-1-en-1-amine
CID 169694639
N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]butan-2-imine
CID 169695420
ethane;N-(3-methyl-2-prop-1-en-2-ylbuta-1,3-dienyl)butan-2-imine
CID 176966971
(Z)-2-N-methyl-3-methylidene-5-N-propan-2-ylidenepent-4-ene-2,5-diimine
CID 142189160
N-(3-methyl-2-prop-1-en-2-ylbuta-1,3-dienyl)butan-2-imine
CID 176966972

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine?
The IUPAC name of N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine (CID 123388154) is N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine.
What is the SMILES notation for N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine?
The canonical SMILES for N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine is C=C(/N=C(\C)CC)/C(=C\N=C(C)C)CC.
What is the InChIKey of N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine?
The InChIKey is VXLSSYGFNAWXHZ-IXDRHEJISA-N. The full InChI is InChI=1S/C13H22N2/c1-7-11(5)15-12(6)13(8-2)9-14-10(3)4/h9H,6-8H2,1-5H3/b13-9-,15-11+.
What are the key properties of N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine?
N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine has a molecular weight of 206.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(propan-2-ylideneamino)methylidene]pent-1-en-2-yl]butan-2-imine is sourced from PubChem (CID 123388154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).