N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine

C15H23N — CID 135210367

IUPACN-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
SMILESC=C(C)/C(=C\C)C(=C)/C=C\N=C(/C)CCC
InChIInChI=1S/C15H23N/c1-7-9-14(6)16-11-10-13(5)15(8-2)12(3)4/h8,10-11H,3,5,7,9H2,1-2,4,6H3/b11-10-,15-8+,16-14+
InChIKeyBCSXNBOYWNRMSZ-YVEGDTTHSA-N
MW217.36 g/mol
LogP4.84
Rot. Bonds6

About N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine

N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine (PubChem CID 135210367) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine.

Molecular Properties

Compound NameN-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
PubChem CID135210367
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
SMILESC=C(C)/C(=C\C)C(=C)/C=C\N=C(/C)CCC
InChIInChI=1S/C15H23N/c1-7-9-14(6)16-11-10-13(5)15(8-2)12(3)4/h8,10-11H,3,5,7,9H2,1-2,4,6H3/b11-10-,15-8+,16-14+
InChIKeyBCSXNBOYWNRMSZ-YVEGDTTHSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-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

(Z)-4-methylidene-6-(pentan-2-ylideneamino)hex-5-en-3-one
CID 168972308
(Z)-2-methylidene-4-(pentan-2-ylideneamino)but-3-enenitrile
CID 168972725
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
CID 153342646
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
CID 142099496
(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene
CID 174329664
(Z)-N-[(Z)-ethylideneamino]pentan-2-imine
CID 130369959
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine
CID 170028248
2-methyl-N-propylhex-1-en-3-imine
CID 123390647
(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine?
The IUPAC name of N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine (CID 135210367) is N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine.
What is the SMILES notation for N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine?
The canonical SMILES for N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine is C=C(C)/C(=C\C)C(=C)/C=C\N=C(/C)CCC.
What is the InChIKey of N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine?
The InChIKey is BCSXNBOYWNRMSZ-YVEGDTTHSA-N. The full InChI is InChI=1S/C15H23N/c1-7-9-14(6)16-11-10-13(5)15(8-2)12(3)4/h8,10-11H,3,5,7,9H2,1-2,4,6H3/b11-10-,15-8+,16-14+.
What are the key properties of N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine?
N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine has a molecular weight of 217.36 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine is sourced from PubChem (CID 135210367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).