ethane;3-methylcyclopentane-1,2-diimine

C8H16N2 — CID 143214230

IUPACethane;3-methylcyclopentane-1,2-diimine
SMILESCC.[H]/N=C1\CCC(C)\C1=N/[H]
InChIInChI=1S/C6H10N2.C2H6/c1-4-2-3-5(7)6(4)8;1-2/h4,7-8H,2-3H2,1H3;1-2H3/b7-5+,8-6+;
InChIKeyGOKCHUBTXHOMOO-PUFOULASSA-N
MW140.23 g/mol
LogP2.48
Rot. Bonds

About ethane;3-methylcyclopentane-1,2-diimine

ethane;3-methylcyclopentane-1,2-diimine (PubChem CID 143214230) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;3-methylcyclopentane-1,2-diimine.

Molecular Properties

Compound Nameethane;3-methylcyclopentane-1,2-diimine
PubChem CID143214230
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;3-methylcyclopentane-1,2-diimine
SMILESCC.[H]/N=C1\CCC(C)\C1=N/[H]
InChIInChI=1S/C6H10N2.C2H6/c1-4-2-3-5(7)6(4)8;1-2/h4,7-8H,2-3H2,1H3;1-2H3/b7-5+,8-6+;
InChIKeyGOKCHUBTXHOMOO-PUFOULASSA-N
XLogP2.48
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylcyclopentan-1-imine
CID 10240765
1-Cyclopentylethanimine
CID 18727540
2,5-Dimethylhexane-3,4-diimine
CID 53686471
(2R)-2-methylcyclopentan-1-imine
CID 54134459
4-Ethylheptane-2,6-diimine
CID 57061676
5-(3-Iminobutyl)decane-2,6-diimine
CID 57178709
3,3,5-Trimethylhexan-2-imine
CID 58248103
2,2,4-Trimethylhexan-3-imine
CID 59227617
4-Propan-2-ylheptane-2,6-diimine
CID 88854693
3-Pentylpentane-2,4-diimine
CID 88869901
1-Cyclopentylbutan-1-imine
CID 89059150
(E)-1-cyclopentylbutylidenehydrazine
CID 89059192

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylcyclopentane-1,2-diimine?
The IUPAC name of ethane;3-methylcyclopentane-1,2-diimine (CID 143214230) is ethane;3-methylcyclopentane-1,2-diimine.
What is the SMILES notation for ethane;3-methylcyclopentane-1,2-diimine?
The canonical SMILES for ethane;3-methylcyclopentane-1,2-diimine is CC.[H]/N=C1\CCC(C)\C1=N/[H].
What is the InChIKey of ethane;3-methylcyclopentane-1,2-diimine?
The InChIKey is GOKCHUBTXHOMOO-PUFOULASSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-4-2-3-5(7)6(4)8;1-2/h4,7-8H,2-3H2,1H3;1-2H3/b7-5+,8-6+;.
What are the key properties of ethane;3-methylcyclopentane-1,2-diimine?
ethane;3-methylcyclopentane-1,2-diimine has a molecular weight of 140.23 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylcyclopentane-1,2-diimine is sourced from PubChem (CID 143214230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).