2-methylhex-2-en-5-yn-1-amine

C7H11N — CID 103392278

IUPAC2-methylhex-2-en-5-yn-1-amine
SMILESC#CCC=C(C)CN
InChIInChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h1,5H,4,6,8H2,2H3
InChIKeyCRYOFXPRYSHBTE-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.91
Rot. Bonds2

About 2-methylhex-2-en-5-yn-1-amine

2-methylhex-2-en-5-yn-1-amine (PubChem CID 103392278) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-methylhex-2-en-5-yn-1-amine.

Molecular Properties

Compound Name2-methylhex-2-en-5-yn-1-amine
PubChem CID103392278
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-methylhex-2-en-5-yn-1-amine
SMILESC#CCC=C(C)CN
InChIInChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h1,5H,4,6,8H2,2H3
InChIKeyCRYOFXPRYSHBTE-UHFFFAOYSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-ethoxyhex-4-en-1-yne
CID 134893570
2,5,5-trimethylhex-2-en-1-amine
CID 103392273
(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine
CID 163869241
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(4E,8E)-5,9,13,17-tetramethyloctadeca-4,8,16-trien-1-yne
CID 140820993
(4Z,6Z)-6-methylnona-4,6-dien-1-yne
CID 143682413
2-methyl-5-methylsulfonylpent-2-en-1-amine
CID 103392241
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
[(E)-4-methyloct-4-en-1,7-diyn-3-yl] acetate
CID 88760475
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-en-5-yn-1-amine?
The IUPAC name of 2-methylhex-2-en-5-yn-1-amine (CID 103392278) is 2-methylhex-2-en-5-yn-1-amine.
What is the SMILES notation for 2-methylhex-2-en-5-yn-1-amine?
The canonical SMILES for 2-methylhex-2-en-5-yn-1-amine is C#CCC=C(C)CN.
What is the InChIKey of 2-methylhex-2-en-5-yn-1-amine?
The InChIKey is CRYOFXPRYSHBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h1,5H,4,6,8H2,2H3.
What are the key properties of 2-methylhex-2-en-5-yn-1-amine?
2-methylhex-2-en-5-yn-1-amine has a molecular weight of 109.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-en-5-yn-1-amine is sourced from PubChem (CID 103392278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).