deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine

C12H27N — CID 91245726

IUPACdeuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine
SMILESCC.CC(C)=C1CCN(C)CC1.[2H]C
InChIInChI=1S/C9H17N.C2H6.CH4/c1-8(2)9-4-6-10(3)7-5-9;1-2;/h4-7H2,1-3H3;1-2H3;1H4/i;;1D
InChIKeyKVZNJRVOJZTMQS-PRQZKWGPSA-N
MW186.36 g/mol
LogP3.71
Rot. Bonds

About deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine

deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine (PubChem CID 91245726) has the molecular formula C12H27N and a molecular weight of 186.36 g/mol. Its IUPAC name is deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine.

Molecular Properties

Compound Namedeuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine
PubChem CID91245726
Molecular FormulaC12H27N
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Namedeuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine
SMILESCC.CC(C)=C1CCN(C)CC1.[2H]C
InChIInChI=1S/C9H17N.C2H6.CH4/c1-8(2)9-4-6-10(3)7-5-9;1-2;/h4-7H2,1-3H3;1-2H3;1H4/i;;1D
InChIKeyKVZNJRVOJZTMQS-PRQZKWGPSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.71
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 deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine?
The IUPAC name of deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine (CID 91245726) is deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine.
What is the SMILES notation for deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine?
The canonical SMILES for deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine is CC.CC(C)=C1CCN(C)CC1.[2H]C.
What is the InChIKey of deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine?
The InChIKey is KVZNJRVOJZTMQS-PRQZKWGPSA-N. The full InChI is InChI=1S/C9H17N.C2H6.CH4/c1-8(2)9-4-6-10(3)7-5-9;1-2;/h4-7H2,1-3H3;1-2H3;1H4/i;;1D.
What are the key properties of deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine?
deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine has a molecular weight of 186.36 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;ethane;1-methyl-4-propan-2-ylidenepiperidine is sourced from PubChem (CID 91245726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).