ethane;2-propan-2-ylpiperidine

C12H29N — CID 154671868

IUPACethane;2-propan-2-ylpiperidine
SMILESCC.CC.CC(C)C1CCCCN1
InChIInChI=1S/C8H17N.2C2H6/c1-7(2)8-5-3-4-6-9-8;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyPQKVEFWDYQUHFY-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.84
Rot. Bonds1

About ethane;2-propan-2-ylpiperidine

ethane;2-propan-2-ylpiperidine (PubChem CID 154671868) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;2-propan-2-ylpiperidine.

Molecular Properties

Compound Nameethane;2-propan-2-ylpiperidine
PubChem CID154671868
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;2-propan-2-ylpiperidine
SMILESCC.CC.CC(C)C1CCCCN1
InChIInChI=1S/C8H17N.2C2H6/c1-7(2)8-5-3-4-6-9-8;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyPQKVEFWDYQUHFY-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-propan-2-ylpiperidine
CID 7022854
(2R)-2-propan-2-ylazepane
CID 7048221
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(2R)-2-butan-2-ylpiperidine
CID 145087457
ethane;tetrakis(propan-2-ylcyclohexane);1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;4-propan-2-ylpiperidine
CID 158490394
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
methane;2-propan-2-ylazetidine;propan-2-ylcyclobutane
CID 159611359
2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
benzene;ethane;1-piperidin-2-ylethanol;propane
CID 155698594
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
(2S)-2-pentan-3-ylpiperidine
CID 7048107
2-pentan-3-ylpiperidine
CID 4527381

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylpiperidine?
The IUPAC name of ethane;2-propan-2-ylpiperidine (CID 154671868) is ethane;2-propan-2-ylpiperidine.
What is the SMILES notation for ethane;2-propan-2-ylpiperidine?
The canonical SMILES for ethane;2-propan-2-ylpiperidine is CC.CC.CC(C)C1CCCCN1.
What is the InChIKey of ethane;2-propan-2-ylpiperidine?
The InChIKey is PQKVEFWDYQUHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C2H6/c1-7(2)8-5-3-4-6-9-8;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-ylpiperidine?
ethane;2-propan-2-ylpiperidine has a molecular weight of 187.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylpiperidine is sourced from PubChem (CID 154671868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).