ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine

C9H20N2 — CID 143056794

IUPACethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C(C)=C(/C)N.CC
InChIInChI=1S/C7H14N2.C2H6/c1-5(6(2)8)7(3)9-4;1-2/h8H2,1-4H3;1-2H3/b6-5-,9-7+;
InChIKeyPAAXWMYATCZJNY-HMERWLGPSA-N
MW156.27 g/mol
LogP2.36
Rot. Bonds1

About ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine

ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 143056794) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine
PubChem CID143056794
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C(C)=C(/C)N.CC
InChIInChI=1S/C7H14N2.C2H6/c1-5(6(2)8)7(3)9-4;1-2/h8H2,1-4H3;1-2H3/b6-5-,9-7+;
InChIKeyPAAXWMYATCZJNY-HMERWLGPSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.36
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

N-[(Z)-4-imino-3-methylpent-2-en-2-yl]ethanimidoyl fluoride
CID 126593498
3-amino-2-ethyl-N-methylbut-2-enimidoyl fluoride
CID 173493861
(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 59104563
methyl-[(Z)-3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59932858
Methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59955792
N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 59955793
3-Methyl-4-methyliminopent-2-en-2-amine
CID 72517933
(E)-4-methyliminopent-2-ene-2,3-diamine
CID 89091275
(Z)-4-imino-3-methylpent-2-en-2-amine
CID 89138473

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine (CID 143056794) is ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine is C/N=C(C)/C(C)=C(/C)N.CC.
What is the InChIKey of ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is PAAXWMYATCZJNY-HMERWLGPSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-5(6(2)8)7(3)9-4;1-2/h8H2,1-4H3;1-2H3/b6-5-,9-7+;.
What are the key properties of ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine?
ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 156.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 143056794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).