(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine

C15H28N2 — CID 91002989

IUPAC(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine
SMILESC=N/N=C/C(C/C=C/CC)CCCCCCC
InChIInChI=1S/C15H28N2/c1-4-6-8-9-11-13-15(14-17-16-3)12-10-7-5-2/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3/b10-7+,17-14+
InChIKeyHEFNKNXZLIKWHU-GKOPTJFUSA-N
MW236.40 g/mol
LogP5.01
Rot. Bonds11

About (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine

(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine (PubChem CID 91002989) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine.

Molecular Properties

Compound Name(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine
PubChem CID91002989
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine
SMILESC=N/N=C/C(C/C=C/CC)CCCCCCC
InChIInChI=1S/C15H28N2/c1-4-6-8-9-11-13-15(14-17-16-3)12-10-7-5-2/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3/b10-7+,17-14+
InChIKeyHEFNKNXZLIKWHU-GKOPTJFUSA-N
XLogP5.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine with MolForge

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Related Compounds

(6S)-8-diazo-2,6-dimethyloct-2-ene
CID 72722697
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
N,4-dimethyloct-6-en-1-imine
CID 91168305
2-Ethyldec-7-en-1-imine
CID 123446420
3-Butyl-4-methylhepta-2,6-dien-1-imine
CID 123647408
(E)-N-(methylideneamino)-2-pentylundec-4-en-1-imine
CID 123744360
6-Cyclohepta-1,5-dien-1-yl-2-methylhexan-1-imine
CID 123824606
2-Hexan-3-ylhex-4-en-1-imine
CID 123865105
(3-Methyl-6-prop-1-enylcycloheptyl)methanimine
CID 123866977
(Z)-4-methyl-N-(methylideneamino)oct-6-en-3-imine
CID 124002976
(4aE)-1-[(3E)-penta-1,3-dien-3-yl]-6,7,8,9,10,10a-hexahydrocycloocta[d]pyridazine
CID 129162549

Frequently Asked Questions

What is the IUPAC name of (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine?
The IUPAC name of (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine (CID 91002989) is (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine.
What is the SMILES notation for (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine?
The canonical SMILES for (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine is C=N/N=C/C(C/C=C/CC)CCCCCCC.
What is the InChIKey of (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine?
The InChIKey is HEFNKNXZLIKWHU-GKOPTJFUSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-8-9-11-13-15(14-17-16-3)12-10-7-5-2/h7,10,14-15H,3-6,8-9,11-13H2,1-2H3/b10-7+,17-14+.
What are the key properties of (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine?
(E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine has a molecular weight of 236.40 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(methylideneamino)-2-[(E)-pent-2-enyl]nonan-1-imine is sourced from PubChem (CID 91002989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).