N-methyloct-2-en-4-imine

C9H17N — CID 91039645

IUPACN-methyloct-2-en-4-imine
SMILESCC=C/C(CCCC)=N\C
InChIInChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h5,7H,4,6,8H2,1-3H3/b7-5?,10-9+
InChIKeyBKFCTBIKRGRUDV-PGDNHEGOSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds4

About N-methyloct-2-en-4-imine

N-methyloct-2-en-4-imine (PubChem CID 91039645) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyloct-2-en-4-imine.

Molecular Properties

Compound NameN-methyloct-2-en-4-imine
PubChem CID91039645
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyloct-2-en-4-imine
SMILESCC=C/C(CCCC)=N\C
InChIInChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h5,7H,4,6,8H2,1-3H3/b7-5?,10-9+
InChIKeyBKFCTBIKRGRUDV-PGDNHEGOSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Nigrifactin
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2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
6-Ethyl-2,3-dihydropyridine
CID 58693567
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine
CID 167172097
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459

Frequently Asked Questions

What is the IUPAC name of N-methyloct-2-en-4-imine?
The IUPAC name of N-methyloct-2-en-4-imine (CID 91039645) is N-methyloct-2-en-4-imine.
What is the SMILES notation for N-methyloct-2-en-4-imine?
The canonical SMILES for N-methyloct-2-en-4-imine is CC=C/C(CCCC)=N\C.
What is the InChIKey of N-methyloct-2-en-4-imine?
The InChIKey is BKFCTBIKRGRUDV-PGDNHEGOSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-8-9(10-3)7-5-2/h5,7H,4,6,8H2,1-3H3/b7-5?,10-9+.
What are the key properties of N-methyloct-2-en-4-imine?
N-methyloct-2-en-4-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-2-en-4-imine is sourced from PubChem (CID 91039645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).