(Z,2S)-N-methylpent-3-en-2-amine

C6H13N — CID 55299533

IUPAC(Z,2S)-N-methylpent-3-en-2-amine
SMILESC/C=C\[C@H](C)NC
InChIInChI=1S/C6H13N/c1-4-5-6(2)7-3/h4-7H,1-3H3/b5-4-/t6-/m0/s1
InChIKeyRYJLQZZUQFEGBK-XSIKTDMUSA-N
MW99.18 g/mol
LogP1.17
Rot. Bonds2

About (Z,2S)-N-methylpent-3-en-2-amine

(Z,2S)-N-methylpent-3-en-2-amine (PubChem CID 55299533) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (Z,2S)-N-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-N-methylpent-3-en-2-amine
PubChem CID55299533
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(Z,2S)-N-methylpent-3-en-2-amine
SMILESC/C=C\[C@H](C)NC
InChIInChI=1S/C6H13N/c1-4-5-6(2)7-3/h4-7H,1-3H3/b5-4-/t6-/m0/s1
InChIKeyRYJLQZZUQFEGBK-XSIKTDMUSA-N
XLogP1.17
TPSA12.03 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 ≤ 51.17
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,2S)-N-methylpent-3-en-2-amine?
The IUPAC name of (Z,2S)-N-methylpent-3-en-2-amine (CID 55299533) is (Z,2S)-N-methylpent-3-en-2-amine.
What is the SMILES notation for (Z,2S)-N-methylpent-3-en-2-amine?
The canonical SMILES for (Z,2S)-N-methylpent-3-en-2-amine is C/C=C\[C@H](C)NC.
What is the InChIKey of (Z,2S)-N-methylpent-3-en-2-amine?
The InChIKey is RYJLQZZUQFEGBK-XSIKTDMUSA-N. The full InChI is InChI=1S/C6H13N/c1-4-5-6(2)7-3/h4-7H,1-3H3/b5-4-/t6-/m0/s1.
What are the key properties of (Z,2S)-N-methylpent-3-en-2-amine?
(Z,2S)-N-methylpent-3-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-N-methylpent-3-en-2-amine is sourced from PubChem (CID 55299533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).