2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine

C10H18N2 — CID 139517079

IUPAC2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine
SMILESC=C(C)CNN1CCCCC1=C
InChIInChI=1S/C10H18N2/c1-9(2)8-11-12-7-5-4-6-10(12)3/h11H,1,3-8H2,2H3
InChIKeyLEONJKIYYDZQSE-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds3

About 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine

2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine (PubChem CID 139517079) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine.

Molecular Properties

Compound Name2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine
PubChem CID139517079
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine
SMILESC=C(C)CNN1CCCCC1=C
InChIInChI=1S/C10H18N2/c1-9(2)8-11-12-7-5-4-6-10(12)3/h11H,1,3-8H2,2H3
InChIKeyLEONJKIYYDZQSE-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine?
The IUPAC name of 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine (CID 139517079) is 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine.
What is the SMILES notation for 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine?
The canonical SMILES for 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine is C=C(C)CNN1CCCCC1=C.
What is the InChIKey of 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine?
The InChIKey is LEONJKIYYDZQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)8-11-12-7-5-4-6-10(12)3/h11H,1,3-8H2,2H3.
What are the key properties of 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine?
2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-(2-methylprop-2-enyl)piperidin-1-amine is sourced from PubChem (CID 139517079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).