ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine

C8H18N2 — CID 143517808

IUPACethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine
SMILESC/N=C(C)/C(C)=C\N.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(4-7)6(2)8-3;1-2/h4H,7H2,1-3H3;1-2H3/b5-4-,8-6+;
InChIKeyCMMWQVBRPGRQEQ-NLAQHMENSA-N
MW142.25 g/mol
LogP1.97
Rot. Bonds1

About ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine

ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine (PubChem CID 143517808) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine
PubChem CID143517808
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine
SMILESC/N=C(C)/C(C)=C\N.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(4-7)6(2)8-3;1-2/h4H,7H2,1-3H3;1-2H3/b5-4-,8-6+;
InChIKeyCMMWQVBRPGRQEQ-NLAQHMENSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[N-(2-fluoroethyl)-C-methylcarbonimidoyl]-3-methylbut-1-en-1-amine
CID 170635943
4,4-Difluoro-2-methyl-3-methyliminobut-1-en-1-amine
CID 173963466
(Z)-3-ethenylimino-2-methylbut-1-en-1-amine
CID 88056730
(E)-2-methyl-3-methyliminobut-1-en-1-amine
CID 88882934
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
(Z)-2-(C,N-dimethylcarbonimidoyl)-3-methylbut-1-en-1-amine
CID 89209473
(Z)-2-(2-methylidenebutylideneamino)but-1-en-1-amine
CID 89286529
N-[(E)-2-methylbut-1-enyl]butan-2-imine
CID 89324556
(Z)-(2-methyliminocyclohexylidene)methanamine
CID 89395344
3-N-(2-methylprop-1-enyl)butane-2,3-diimine
CID 89671915
(E)-N-ethyl-3-imino-N,2-dimethylbut-1-en-1-amine
CID 90453976
3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 90796579

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine (CID 143517808) is ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine is C/N=C(C)/C(C)=C\N.CC.
What is the InChIKey of ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine?
The InChIKey is CMMWQVBRPGRQEQ-NLAQHMENSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-5(4-7)6(2)8-3;1-2/h4H,7H2,1-3H3;1-2H3/b5-4-,8-6+;.
What are the key properties of ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine?
ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methyl-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 143517808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).