4-propan-2-ylheptane-2,6-diimine

C10H20N2 — CID 88854693

IUPAC4-propan-2-ylheptane-2,6-diimine
SMILES[H]/N=C(/C)CC(C/C(C)=N\[H])C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)10(5-8(3)11)6-9(4)12/h7,10-12H,5-6H2,1-4H3/b11-8-,12-9-
InChIKeyKEWBJKHAWSXKFC-QAHSQZNUSA-N
MW168.28 g/mol
LogP3.12
Rot. Bonds5

About 4-propan-2-ylheptane-2,6-diimine

4-propan-2-ylheptane-2,6-diimine (PubChem CID 88854693) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-propan-2-ylheptane-2,6-diimine.

Molecular Properties

Compound Name4-propan-2-ylheptane-2,6-diimine
PubChem CID88854693
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-propan-2-ylheptane-2,6-diimine
SMILES[H]/N=C(/C)CC(C/C(C)=N\[H])C(C)C
InChIInChI=1S/C10H20N2/c1-7(2)10(5-8(3)11)6-9(4)12/h7,10-12H,5-6H2,1-4H3/b11-8-,12-9-
InChIKeyKEWBJKHAWSXKFC-QAHSQZNUSA-N
XLogP3.12
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylheptane-2,6-diimine?
The IUPAC name of 4-propan-2-ylheptane-2,6-diimine (CID 88854693) is 4-propan-2-ylheptane-2,6-diimine.
What is the SMILES notation for 4-propan-2-ylheptane-2,6-diimine?
The canonical SMILES for 4-propan-2-ylheptane-2,6-diimine is [H]/N=C(/C)CC(C/C(C)=N\[H])C(C)C.
What is the InChIKey of 4-propan-2-ylheptane-2,6-diimine?
The InChIKey is KEWBJKHAWSXKFC-QAHSQZNUSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)10(5-8(3)11)6-9(4)12/h7,10-12H,5-6H2,1-4H3/b11-8-,12-9-.
What are the key properties of 4-propan-2-ylheptane-2,6-diimine?
4-propan-2-ylheptane-2,6-diimine has a molecular weight of 168.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylheptane-2,6-diimine is sourced from PubChem (CID 88854693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).