(E)-3-methylpent-2-en-2-amine

C6H13N — CID 19876577

IUPAC(E)-3-methylpent-2-en-2-amine
SMILESCC/C(C)=C(\C)N
InChIInChI=1S/C6H13N/c1-4-5(2)6(3)7/h4,7H2,1-3H3/b6-5+
InChIKeyCDBFGNJUBFOZAA-AATRIKPKSA-N
MW99.18 g/mol
LogP1.65
Rot. Bonds1

About (E)-3-methylpent-2-en-2-amine

(E)-3-methylpent-2-en-2-amine (PubChem CID 19876577) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E)-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-methylpent-2-en-2-amine
PubChem CID19876577
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E)-3-methylpent-2-en-2-amine
SMILESCC/C(C)=C(\C)N
InChIInChI=1S/C6H13N/c1-4-5(2)6(3)7/h4,7H2,1-3H3/b6-5+
InChIKeyCDBFGNJUBFOZAA-AATRIKPKSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylpent-2-en-2-amine?
The IUPAC name of (E)-3-methylpent-2-en-2-amine (CID 19876577) is (E)-3-methylpent-2-en-2-amine.
What is the SMILES notation for (E)-3-methylpent-2-en-2-amine?
The canonical SMILES for (E)-3-methylpent-2-en-2-amine is CC/C(C)=C(\C)N.
What is the InChIKey of (E)-3-methylpent-2-en-2-amine?
The InChIKey is CDBFGNJUBFOZAA-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13N/c1-4-5(2)6(3)7/h4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-3-methylpent-2-en-2-amine?
(E)-3-methylpent-2-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylpent-2-en-2-amine is sourced from PubChem (CID 19876577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).