2-methylhept-5-en-1-imine

C8H15N — CID 90716594

IUPAC2-methylhept-5-en-1-imine
SMILES[H]/N=C/C(C)CCC=CC
InChIInChI=1S/C8H15N/c1-3-4-5-6-8(2)7-9/h3-4,7-9H,5-6H2,1-2H3/b4-3?,9-7+
InChIKeyHOTPTMNFJHPSSE-IWJFFSHHSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds4

About 2-methylhept-5-en-1-imine

2-methylhept-5-en-1-imine (PubChem CID 90716594) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-methylhept-5-en-1-imine.

Molecular Properties

Compound Name2-methylhept-5-en-1-imine
PubChem CID90716594
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-methylhept-5-en-1-imine
SMILES[H]/N=C/C(C)CCC=CC
InChIInChI=1S/C8H15N/c1-3-4-5-6-8(2)7-9/h3-4,7-9H,5-6H2,1-2H3/b4-3?,9-7+
InChIKeyHOTPTMNFJHPSSE-IWJFFSHHSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-fluoro-2-methylhept-3-en-1-imine
CID 88562245
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
Oct-3-en-1-imine
CID 53787635
2-Methylpent-3-en-1-imine
CID 56620219
2-Methyldec-3-en-1-imine
CID 57110449
Hept-3-en-1-imine
CID 57154508
2-Methylhex-3-en-1-imine
CID 57195916
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
3-Propan-2-ylpent-4-en-1-imine
CID 58352436
(4-Methylcyclohexa-2,4-dien-1-yl)methanimine
CID 88562250
(3Z,5Z)-2-methylhepta-3,5-dien-1-imine
CID 88580906
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923

Frequently Asked Questions

What is the IUPAC name of 2-methylhept-5-en-1-imine?
The IUPAC name of 2-methylhept-5-en-1-imine (CID 90716594) is 2-methylhept-5-en-1-imine.
What is the SMILES notation for 2-methylhept-5-en-1-imine?
The canonical SMILES for 2-methylhept-5-en-1-imine is [H]/N=C/C(C)CCC=CC.
What is the InChIKey of 2-methylhept-5-en-1-imine?
The InChIKey is HOTPTMNFJHPSSE-IWJFFSHHSA-N. The full InChI is InChI=1S/C8H15N/c1-3-4-5-6-8(2)7-9/h3-4,7-9H,5-6H2,1-2H3/b4-3?,9-7+.
What are the key properties of 2-methylhept-5-en-1-imine?
2-methylhept-5-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-5-en-1-imine is sourced from PubChem (CID 90716594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).