4,4,5-trimethylhex-5-en-3-imine

C9H17N — CID 142560277

IUPAC4,4,5-trimethylhex-5-en-3-imine
SMILES[H]/N=C(\CC)C(C)(C)C(=C)C
InChIInChI=1S/C9H17N/c1-6-8(10)9(4,5)7(2)3/h10H,2,6H2,1,3-5H3/b10-8+
InChIKeyMJZRSQGHOKXJMQ-CSKARUKUSA-N
MW139.24 g/mol
LogP3.02
Rot. Bonds3

About 4,4,5-trimethylhex-5-en-3-imine

4,4,5-trimethylhex-5-en-3-imine (PubChem CID 142560277) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4,4,5-trimethylhex-5-en-3-imine.

Molecular Properties

Compound Name4,4,5-trimethylhex-5-en-3-imine
PubChem CID142560277
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4,4,5-trimethylhex-5-en-3-imine
SMILES[H]/N=C(\CC)C(C)(C)C(=C)C
InChIInChI=1S/C9H17N/c1-6-8(10)9(4,5)7(2)3/h10H,2,6H2,1,3-5H3/b10-8+
InChIKeyMJZRSQGHOKXJMQ-CSKARUKUSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethylhex-5-en-3-imine?
The IUPAC name of 4,4,5-trimethylhex-5-en-3-imine (CID 142560277) is 4,4,5-trimethylhex-5-en-3-imine.
What is the SMILES notation for 4,4,5-trimethylhex-5-en-3-imine?
The canonical SMILES for 4,4,5-trimethylhex-5-en-3-imine is [H]/N=C(\CC)C(C)(C)C(=C)C.
What is the InChIKey of 4,4,5-trimethylhex-5-en-3-imine?
The InChIKey is MJZRSQGHOKXJMQ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(10)9(4,5)7(2)3/h10H,2,6H2,1,3-5H3/b10-8+.
What are the key properties of 4,4,5-trimethylhex-5-en-3-imine?
4,4,5-trimethylhex-5-en-3-imine has a molecular weight of 139.24 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethylhex-5-en-3-imine is sourced from PubChem (CID 142560277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).