(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine

C10H22N2 — CID 88684801

IUPAC(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine
SMILESC/C=C(\C)CN.CC/C=C(/C)N
InChIInChI=1S/2C5H11N/c1-3-5(2)4-6;1-3-4-5(2)6/h3H,4,6H2,1-2H3;4H,3,6H2,1-2H3/b5-3+;5-4-
InChIKeyWRLQBJRSTICTRS-CXUDCQRXSA-N
MW170.30 g/mol
LogP2.17
Rot. Bonds2

About (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine

(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine (PubChem CID 88684801) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine
PubChem CID88684801
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine
SMILESC/C=C(\C)CN.CC/C=C(/C)N
InChIInChI=1S/2C5H11N/c1-3-5(2)4-6;1-3-4-5(2)6/h3H,4,6H2,1-2H3;4H,3,6H2,1-2H3/b5-3+;5-4-
InChIKeyWRLQBJRSTICTRS-CXUDCQRXSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine?
The IUPAC name of (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine (CID 88684801) is (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine.
What is the SMILES notation for (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine?
The canonical SMILES for (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine is C/C=C(\C)CN.CC/C=C(/C)N.
What is the InChIKey of (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine?
The InChIKey is WRLQBJRSTICTRS-CXUDCQRXSA-N. The full InChI is InChI=1S/2C5H11N/c1-3-5(2)4-6;1-3-4-5(2)6/h3H,4,6H2,1-2H3;4H,3,6H2,1-2H3/b5-3+;5-4-.
What are the key properties of (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine?
(E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine has a molecular weight of 170.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylbut-2-en-1-amine;(Z)-pent-2-en-2-amine is sourced from PubChem (CID 88684801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).