ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine

C8H18N2 — CID 142059793

IUPACethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
SMILESC=C(C)/C(C)=N\NC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(2)6(3)8-7-4;1-2/h7H,1H2,2-4H3;1-2H3/b8-6-;
InChIKeyAYIXXXYNMJBICP-PHZXCRFESA-N
MW142.25 g/mol
LogP2.18
Rot. Bonds2

About ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine

ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine (PubChem CID 142059793) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine.

Molecular Properties

Compound Nameethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
PubChem CID142059793
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
SMILESC=C(C)/C(C)=N\NC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(2)6(3)8-7-4;1-2/h7H,1H2,2-4H3;1-2H3/b8-6-;
InChIKeyAYIXXXYNMJBICP-PHZXCRFESA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
CID 6850505
(3Z)-3-(methylhydrazinylidene)butane-2-thione
CID 146613902
(2Z)-2-(methylhydrazinylidene)propanamide
CID 55290878
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(NZ)-N-(3-methylbut-3-en-2-ylidene)thiohydroxylamine
CID 89383561
N'-(methylamino)-N-(methylideneamino)ethanimidamide
CID 91523915
N'-(methylamino)-N-(methylideneamino)ethanimidamide
CID 126725146
ethane;tris(2-methylprop-1-ene)
CID 144520420
N,2-dimethylprop-2-enamide;ethane
CID 142291054

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
The IUPAC name of ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine (CID 142059793) is ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine.
What is the SMILES notation for ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
The canonical SMILES for ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine is C=C(C)/C(C)=N\NC.CC.
What is the InChIKey of ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
The InChIKey is AYIXXXYNMJBICP-PHZXCRFESA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-5(2)6(3)8-7-4;1-2/h7H,1H2,2-4H3;1-2H3/b8-6-;.
What are the key properties of ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine?
ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine has a molecular weight of 142.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine is sourced from PubChem (CID 142059793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).