ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine

C26H58N2 — CID 176985881

IUPACethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
SMILESCC.CC.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCC(C)CC1
InChIInChI=1S/2C11H23N.2C2H6/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)4-5-11-6-8-12(3)9-7-11;2*1-2/h2*10-11H,4-9H2,1-3H3;2*1-2H3
InChIKeyYCHHEZVAWSHQDU-UHFFFAOYSA-N
MW398.76 g/mol
LogP7.58
Rot. Bonds6

About ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine

ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine (PubChem CID 176985881) has the molecular formula C26H58N2 and a molecular weight of 398.76 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
PubChem CID176985881
Molecular FormulaC26H58N2
Molecular Weight398.76 g/mol
Exact Mass398.46
IUPAC Nameethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
SMILESCC.CC.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCC(C)CC1
InChIInChI=1S/2C11H23N.2C2H6/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)4-5-11-6-8-12(3)9-7-11;2*1-2/h2*10-11H,4-9H2,1-3H3;2*1-2H3
InChIKeyYCHHEZVAWSHQDU-UHFFFAOYSA-N
XLogP7.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.76
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
CID 164535749
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
1-[3-(1-methylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885357

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine?
The IUPAC name of ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine (CID 176985881) is ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine.
What is the SMILES notation for ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine?
The canonical SMILES for ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine is CC.CC.CC(C)CCC1CCN(C)CC1.CC(C)CCN1CCC(C)CC1.
What is the InChIKey of ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine?
The InChIKey is YCHHEZVAWSHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N.2C2H6/c1-10(2)4-7-12-8-5-11(3)6-9-12;1-10(2)4-5-11-6-8-12(3)9-7-11;2*1-2/h2*10-11H,4-9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine?
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine has a molecular weight of 398.76 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 176985881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).