acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine

C11H25N — CID 169178718

IUPACacetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
SMILESC.C#C.CC.CC/C(C)=C(/C)N
InChIInChI=1S/C6H13N.C2H6.C2H2.CH4/c1-4-5(2)6(3)7;2*1-2;/h4,7H2,1-3H3;1-2H3;1-2H;1H4/b6-5-;;;
InChIKeyWLFFXQGROPMTCU-WTUPQPTJSA-N
MW171.33 g/mol
LogP3.56
Rot. Bonds1

About acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine

acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine (PubChem CID 169178718) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Nameacetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
PubChem CID169178718
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameacetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
SMILESC.C#C.CC.CC/C(C)=C(/C)N
InChIInChI=1S/C6H13N.C2H6.C2H2.CH4/c1-4-5(2)6(3)7;2*1-2;/h4,7H2,1-3H3;1-2H3;1-2H;1H4/b6-5-;;;
InChIKeyWLFFXQGROPMTCU-WTUPQPTJSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine?
The IUPAC name of acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine (CID 169178718) is acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine.
What is the SMILES notation for acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine?
The canonical SMILES for acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine is C.C#C.CC.CC/C(C)=C(/C)N.
What is the InChIKey of acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine?
The InChIKey is WLFFXQGROPMTCU-WTUPQPTJSA-N. The full InChI is InChI=1S/C6H13N.C2H6.C2H2.CH4/c1-4-5(2)6(3)7;2*1-2;/h4,7H2,1-3H3;1-2H3;1-2H;1H4/b6-5-;;;.
What are the key properties of acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine?
acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine is sourced from PubChem (CID 169178718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).