ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine

C9H20N2 — CID 153364345

IUPACethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine
SMILESCC.CCC(/C=N/C)=C(\C)N
InChIInChI=1S/C7H14N2.C2H6/c1-4-7(5-9-3)6(2)8;1-2/h5H,4,8H2,1-3H3;1-2H3/b7-6-,9-5+;
InChIKeyQDDLLSVEUWJOAQ-YVCPEMMASA-N
MW156.27 g/mol
LogP2.36
Rot. Bonds2

About ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine

ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine (PubChem CID 153364345) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine
PubChem CID153364345
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine
SMILESCC.CCC(/C=N/C)=C(\C)N
InChIInChI=1S/C7H14N2.C2H6/c1-4-7(5-9-3)6(2)8;1-2/h5H,4,8H2,1-3H3;1-2H3/b7-6-,9-5+;
InChIKeyQDDLLSVEUWJOAQ-YVCPEMMASA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine?
The IUPAC name of ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine (CID 153364345) is ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine is CC.CCC(/C=N/C)=C(\C)N.
What is the InChIKey of ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine?
The InChIKey is QDDLLSVEUWJOAQ-YVCPEMMASA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-4-7(5-9-3)6(2)8;1-2/h5H,4,8H2,1-3H3;1-2H3/b7-6-,9-5+;.
What are the key properties of ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine?
ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine has a molecular weight of 156.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine is sourced from PubChem (CID 153364345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).