5-methylidene-N-(2-methylpropyl)piperidin-2-amine

C10H20N2 — CID 90838657

IUPAC5-methylidene-N-(2-methylpropyl)piperidin-2-amine
SMILESC=C1CCC(NCC(C)C)NC1
InChIInChI=1S/C10H20N2/c1-8(2)6-11-10-5-4-9(3)7-12-10/h8,10-12H,3-7H2,1-2H3
InChIKeyPBPLJYIYPKDZAA-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.50
Rot. Bonds3

About 5-methylidene-N-(2-methylpropyl)piperidin-2-amine

5-methylidene-N-(2-methylpropyl)piperidin-2-amine (PubChem CID 90838657) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methylidene-N-(2-methylpropyl)piperidin-2-amine.

Molecular Properties

Compound Name5-methylidene-N-(2-methylpropyl)piperidin-2-amine
PubChem CID90838657
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name5-methylidene-N-(2-methylpropyl)piperidin-2-amine
SMILESC=C1CCC(NCC(C)C)NC1
InChIInChI=1S/C10H20N2/c1-8(2)6-11-10-5-4-9(3)7-12-10/h8,10-12H,3-7H2,1-2H3
InChIKeyPBPLJYIYPKDZAA-UHFFFAOYSA-N
XLogP1.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-methylidenepiperidin-2-amine
CID 59241992
3-methylidenepiperidine;N-methylmethanamine
CID 67855067
6-Methyl-5-methylidenepiperidin-2-amine
CID 90778224
N-methyl-5-methylidenepiperidin-2-amine
CID 90816630
N,6-dimethyl-3-methylidenepiperidin-2-amine
CID 90837651
4-Methyl-5-methylidenepiperidin-2-amine
CID 90984603
2-Isocyano-5-methylidenepiperidine
CID 91149241
5-methylidene-N-propan-2-ylpiperidin-2-amine
CID 91222372
N-ethyl-5-methylidenepiperidin-2-amine
CID 91243312
5-Methylidenepiperidin-2-amine
CID 91253604
4,6-Dimethyl-3-methylidenepiperidin-2-amine
CID 91275554
3-Methyl-5-methylidenepiperidin-2-amine
CID 91385869

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-(2-methylpropyl)piperidin-2-amine?
The IUPAC name of 5-methylidene-N-(2-methylpropyl)piperidin-2-amine (CID 90838657) is 5-methylidene-N-(2-methylpropyl)piperidin-2-amine.
What is the SMILES notation for 5-methylidene-N-(2-methylpropyl)piperidin-2-amine?
The canonical SMILES for 5-methylidene-N-(2-methylpropyl)piperidin-2-amine is C=C1CCC(NCC(C)C)NC1.
What is the InChIKey of 5-methylidene-N-(2-methylpropyl)piperidin-2-amine?
The InChIKey is PBPLJYIYPKDZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)6-11-10-5-4-9(3)7-12-10/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 5-methylidene-N-(2-methylpropyl)piperidin-2-amine?
5-methylidene-N-(2-methylpropyl)piperidin-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-(2-methylpropyl)piperidin-2-amine is sourced from PubChem (CID 90838657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).