ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine

C8H20N2 — CID 142619252

IUPACethane;(Z)-3-N-methylpent-2-ene-2,3-diamine
SMILESCC.CC/C(NC)=C(\C)N
InChIInChI=1S/C6H14N2.C2H6/c1-4-6(8-3)5(2)7;1-2/h8H,4,7H2,1-3H3;1-2H3/b6-5-;
InChIKeyYUBNRXPOTJMIMY-YSMBQZINSA-N
MW144.26 g/mol
LogP1.83
Rot. Bonds2

About ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine

ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine (PubChem CID 142619252) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine.

Molecular Properties

Compound Nameethane;(Z)-3-N-methylpent-2-ene-2,3-diamine
PubChem CID142619252
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Nameethane;(Z)-3-N-methylpent-2-ene-2,3-diamine
SMILESCC.CC/C(NC)=C(\C)N
InChIInChI=1S/C6H14N2.C2H6/c1-4-6(8-3)5(2)7;1-2/h8H,4,7H2,1-3H3;1-2H3/b6-5-;
InChIKeyYUBNRXPOTJMIMY-YSMBQZINSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine?
The IUPAC name of ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine (CID 142619252) is ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine.
What is the SMILES notation for ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine?
The canonical SMILES for ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine is CC.CC/C(NC)=C(\C)N.
What is the InChIKey of ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine?
The InChIKey is YUBNRXPOTJMIMY-YSMBQZINSA-N. The full InChI is InChI=1S/C6H14N2.C2H6/c1-4-6(8-3)5(2)7;1-2/h8H,4,7H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine?
ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-N-methylpent-2-ene-2,3-diamine is sourced from PubChem (CID 142619252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).