(Z)-2-methylpent-2-en-1-amine

C6H13N — CID 55289494

IUPAC(Z)-2-methylpent-2-en-1-amine
SMILESCC/C=C(/C)CN
InChIInChI=1S/C6H13N/c1-3-4-6(2)5-7/h4H,3,5,7H2,1-2H3/b6-4-
InChIKeyIGURFOFUWOCRDN-XQRVVYSFSA-N
MW99.18 g/mol
LogP1.30
Rot. Bonds2

About (Z)-2-methylpent-2-en-1-amine

(Z)-2-methylpent-2-en-1-amine (PubChem CID 55289494) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (Z)-2-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methylpent-2-en-1-amine
PubChem CID55289494
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(Z)-2-methylpent-2-en-1-amine
SMILESCC/C=C(/C)CN
InChIInChI=1S/C6H13N/c1-3-4-6(2)5-7/h4H,3,5,7H2,1-2H3/b6-4-
InChIKeyIGURFOFUWOCRDN-XQRVVYSFSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-2-methylpent-2-en-1-amine?
The IUPAC name of (Z)-2-methylpent-2-en-1-amine (CID 55289494) is (Z)-2-methylpent-2-en-1-amine.
What is the SMILES notation for (Z)-2-methylpent-2-en-1-amine?
The canonical SMILES for (Z)-2-methylpent-2-en-1-amine is CC/C=C(/C)CN.
What is the InChIKey of (Z)-2-methylpent-2-en-1-amine?
The InChIKey is IGURFOFUWOCRDN-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H13N/c1-3-4-6(2)5-7/h4H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of (Z)-2-methylpent-2-en-1-amine?
(Z)-2-methylpent-2-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylpent-2-en-1-amine is sourced from PubChem (CID 55289494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).