ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine

C8H18N2 — CID 142941338

IUPACethane;(Z)-N-(methylideneamino)pent-2-en-2-amine
SMILESC=NN/C(C)=C\CC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-4-5-6(2)8-7-3;1-2/h5,8H,3-4H2,1-2H3;1-2H3/b6-5-;
InChIKeyOGWVFXHKCXLIPH-YSMBQZINSA-N
MW142.25 g/mol
LogP2.53
Rot. Bonds3

About ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine

ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine (PubChem CID 142941338) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-N-(methylideneamino)pent-2-en-2-amine
PubChem CID142941338
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;(Z)-N-(methylideneamino)pent-2-en-2-amine
SMILESC=NN/C(C)=C\CC.CC
InChIInChI=1S/C6H12N2.C2H6/c1-4-5-6(2)8-7-3;1-2/h5,8H,3-4H2,1-2H3;1-2H3/b6-5-;
InChIKeyOGWVFXHKCXLIPH-YSMBQZINSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine?
The IUPAC name of ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine (CID 142941338) is ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine is C=NN/C(C)=C\CC.CC.
What is the InChIKey of ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine?
The InChIKey is OGWVFXHKCXLIPH-YSMBQZINSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-4-5-6(2)8-7-3;1-2/h5,8H,3-4H2,1-2H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine?
ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine has a molecular weight of 142.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine is sourced from PubChem (CID 142941338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).