5-methyloct-1-en-3-imine

C9H17N — CID 163230463

IUPAC5-methyloct-1-en-3-imine
SMILES[H]/N=C(\C=C)CC(C)CCC
InChIInChI=1S/C9H17N/c1-4-6-8(3)7-9(10)5-2/h5,8,10H,2,4,6-7H2,1,3H3/b10-9+
InChIKeyFKYWCCUGJFHZON-MDZDMXLPSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds5

About 5-methyloct-1-en-3-imine

5-methyloct-1-en-3-imine (PubChem CID 163230463) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5-methyloct-1-en-3-imine.

Molecular Properties

Compound Name5-methyloct-1-en-3-imine
PubChem CID163230463
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5-methyloct-1-en-3-imine
SMILES[H]/N=C(\C=C)CC(C)CCC
InChIInChI=1S/C9H17N/c1-4-6-8(3)7-9(10)5-2/h5,8,10H,2,4,6-7H2,1,3H3/b10-9+
InChIKeyFKYWCCUGJFHZON-MDZDMXLPSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptan-2-imine
CID 90831955
N-(4-iminohex-5-en-2-yl)hydroxylamine
CID 175421103
3-methyloct-7-ene-2,6-diimine
CID 167256727
2,6-dimethylnonan-3-imine
CID 146181294
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
(4E,6Z)-7-ethenyl-2,4,9-trimethyldodeca-4,6-diene
CID 174092506
6-methylnon-1-en-3-one
CID 173408928
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
1,1-difluoro-4-methylheptan-2-one
CID 112574315
5-ethylidene-3,7-dimethyldecane
CID 91539867
3-imino-N-methyl-2-propylpent-4-en-1-amine
CID 123469226

Frequently Asked Questions

What is the IUPAC name of 5-methyloct-1-en-3-imine?
The IUPAC name of 5-methyloct-1-en-3-imine (CID 163230463) is 5-methyloct-1-en-3-imine.
What is the SMILES notation for 5-methyloct-1-en-3-imine?
The canonical SMILES for 5-methyloct-1-en-3-imine is [H]/N=C(\C=C)CC(C)CCC.
What is the InChIKey of 5-methyloct-1-en-3-imine?
The InChIKey is FKYWCCUGJFHZON-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-8(3)7-9(10)5-2/h5,8,10H,2,4,6-7H2,1,3H3/b10-9+.
What are the key properties of 5-methyloct-1-en-3-imine?
5-methyloct-1-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloct-1-en-3-imine is sourced from PubChem (CID 163230463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).