4-methylheptane-1,7-diimine

C8H16N2 — CID 139852006

IUPAC4-methylheptane-1,7-diimine
SMILES[H]/N=C/CCC(C)CC/C=N/[H]
InChIInChI=1S/C8H16N2/c1-8(4-2-6-9)5-3-7-10/h6-10H,2-5H2,1H3/b9-6+,10-7+
InChIKeyPOFILXIFDMDAKT-KZZDLZNXSA-N
MW140.23 g/mol
LogP2.48
Rot. Bonds6

About 4-methylheptane-1,7-diimine

4-methylheptane-1,7-diimine (PubChem CID 139852006) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methylheptane-1,7-diimine.

Molecular Properties

Compound Name4-methylheptane-1,7-diimine
PubChem CID139852006
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-methylheptane-1,7-diimine
SMILES[H]/N=C/CCC(C)CC/C=N/[H]
InChIInChI=1S/C8H16N2/c1-8(4-2-6-9)5-3-7-10/h6-10H,2-5H2,1H3/b9-6+,10-7+
InChIKeyPOFILXIFDMDAKT-KZZDLZNXSA-N
XLogP2.48
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-iminopropyl)pentane-2,4-dione
CID 88727251
3-propan-2-ylsulfanylpropan-1-imine
CID 130460369
3,6-dimethylheptan-1-imine
CID 175257042
5-ethylheptan-1-imine
CID 123407582
5-methylhexane-1,4-diimine
CID 156550679
hexane-1,6-diimine;hydrochloride
CID 175422205
3-(4-methylpentylsulfinyl)propan-1-imine
CID 90900044
(E)-6-methyl-4-propyloct-6-en-1-imine
CID 166765062
3-iminopropyl(triphenyl)phosphanium
CID 130252871
5-methyl-3-(2-methylpropyl)heptan-1-imine
CID 170290913
azane;hexan-1-imine
CID 158895938
4-buta-1,3-dien-2-ylheptane-1,6-diimine
CID 140575850

Frequently Asked Questions

What is the IUPAC name of 4-methylheptane-1,7-diimine?
The IUPAC name of 4-methylheptane-1,7-diimine (CID 139852006) is 4-methylheptane-1,7-diimine.
What is the SMILES notation for 4-methylheptane-1,7-diimine?
The canonical SMILES for 4-methylheptane-1,7-diimine is [H]/N=C/CCC(C)CC/C=N/[H].
What is the InChIKey of 4-methylheptane-1,7-diimine?
The InChIKey is POFILXIFDMDAKT-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(4-2-6-9)5-3-7-10/h6-10H,2-5H2,1H3/b9-6+,10-7+.
What are the key properties of 4-methylheptane-1,7-diimine?
4-methylheptane-1,7-diimine has a molecular weight of 140.23 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptane-1,7-diimine is sourced from PubChem (CID 139852006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).