1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine

C11H19N — CID 131177029

IUPAC1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine
SMILESC=C1CCCN(CC2(C)CC2)C1
InChIInChI=1S/C11H19N/c1-10-4-3-7-12(8-10)9-11(2)5-6-11/h1,3-9H2,2H3
InChIKeyRWZRVPGSMSRRNA-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds2

About 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine

1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine (PubChem CID 131177029) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine.

Molecular Properties

Compound Name1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine
PubChem CID131177029
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine
SMILESC=C1CCCN(CC2(C)CC2)C1
InChIInChI=1S/C11H19N/c1-10-4-3-7-12(8-10)9-11(2)5-6-11/h1,3-9H2,2H3
InChIKeyRWZRVPGSMSRRNA-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine?
The IUPAC name of 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine (CID 131177029) is 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine.
What is the SMILES notation for 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine?
The canonical SMILES for 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine is C=C1CCCN(CC2(C)CC2)C1.
What is the InChIKey of 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine?
The InChIKey is RWZRVPGSMSRRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-4-3-7-12(8-10)9-11(2)5-6-11/h1,3-9H2,2H3.
What are the key properties of 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine?
1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopropyl)methyl]-3-methylidenepiperidine is sourced from PubChem (CID 131177029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).