(2E)-N-methylnona-2,7-dien-1-imine

C10H17N — CID 123259957

IUPAC(2E)-N-methylnona-2,7-dien-1-imine
SMILESCC=CCCC/C=C/C=N/C
InChIInChI=1S/C10H17N/c1-3-4-5-6-7-8-9-10-11-2/h3-4,8-10H,5-7H2,1-2H3/b4-3?,9-8+,11-10+
InChIKeyYGKCWXGKIQVMDP-MLFWZUBQSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds5

About (2E)-N-methylnona-2,7-dien-1-imine

(2E)-N-methylnona-2,7-dien-1-imine (PubChem CID 123259957) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E)-N-methylnona-2,7-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-methylnona-2,7-dien-1-imine
PubChem CID123259957
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E)-N-methylnona-2,7-dien-1-imine
SMILESCC=CCCC/C=C/C=N/C
InChIInChI=1S/C10H17N/c1-3-4-5-6-7-8-9-10-11-2/h3-4,8-10H,5-7H2,1-2H3/b4-3?,9-8+,11-10+
InChIKeyYGKCWXGKIQVMDP-MLFWZUBQSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

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(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
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(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
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(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
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Frequently Asked Questions

What is the IUPAC name of (2E)-N-methylnona-2,7-dien-1-imine?
The IUPAC name of (2E)-N-methylnona-2,7-dien-1-imine (CID 123259957) is (2E)-N-methylnona-2,7-dien-1-imine.
What is the SMILES notation for (2E)-N-methylnona-2,7-dien-1-imine?
The canonical SMILES for (2E)-N-methylnona-2,7-dien-1-imine is CC=CCCC/C=C/C=N/C.
What is the InChIKey of (2E)-N-methylnona-2,7-dien-1-imine?
The InChIKey is YGKCWXGKIQVMDP-MLFWZUBQSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-6-7-8-9-10-11-2/h3-4,8-10H,5-7H2,1-2H3/b4-3?,9-8+,11-10+.
What are the key properties of (2E)-N-methylnona-2,7-dien-1-imine?
(2E)-N-methylnona-2,7-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methylnona-2,7-dien-1-imine is sourced from PubChem (CID 123259957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).