(6R)-2-methyl-6-propan-2-yloct-7-en-3-imine

C12H23N — CID 167196271

IUPAC(6R)-2-methyl-6-propan-2-yloct-7-en-3-imine
SMILES[H]/N=C(/CCC(C=C)C(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-6-11(9(2)3)7-8-12(13)10(4)5/h6,9-11,13H,1,7-8H2,2-5H3/b13-12-
InChIKeySBIRQXRHCLJSPN-SEYXRHQNSA-N
MW181.32 g/mol
LogP3.90
Rot. Bonds6

About (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine

(6R)-2-methyl-6-propan-2-yloct-7-en-3-imine (PubChem CID 167196271) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine.

Molecular Properties

Compound Name(6R)-2-methyl-6-propan-2-yloct-7-en-3-imine
PubChem CID167196271
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(6R)-2-methyl-6-propan-2-yloct-7-en-3-imine
SMILES[H]/N=C(/CCC(C=C)C(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-6-11(9(2)3)7-8-12(13)10(4)5/h6,9-11,13H,1,7-8H2,2-5H3/b13-12-
InChIKeySBIRQXRHCLJSPN-SEYXRHQNSA-N
XLogP3.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.90
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 (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine?
The IUPAC name of (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine (CID 167196271) is (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine.
What is the SMILES notation for (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine?
The canonical SMILES for (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine is [H]/N=C(/CCC(C=C)C(C)C)C(C)C.
What is the InChIKey of (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine?
The InChIKey is SBIRQXRHCLJSPN-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11(9(2)3)7-8-12(13)10(4)5/h6,9-11,13H,1,7-8H2,2-5H3/b13-12-.
What are the key properties of (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine?
(6R)-2-methyl-6-propan-2-yloct-7-en-3-imine has a molecular weight of 181.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-6-propan-2-yloct-7-en-3-imine is sourced from PubChem (CID 167196271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).