ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine

C13H28N2 — CID 144804921

IUPACethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC.CC(C)=CCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2.C2H6/c1-10(2)4-7-12-11-5-8-13(3)9-6-11;1-2/h4,11-12H,5-9H2,1-3H3;1-2H3
InChIKeyCUTXAGQLOIAROS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds3

About ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine

ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 144804921) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Nameethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID144804921
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC.CC(C)=CCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2.C2H6/c1-10(2)4-7-12-11-5-8-13(3)9-6-11;1-2/h4,11-12H,5-9H2,1-3H3;1-2H3
InChIKeyCUTXAGQLOIAROS-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine
CID 54595885
1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
N-(3,3-dimethylbutyl)-1-prop-2-enylpiperidin-4-amine
CID 86804399
(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-(3-methylbut-2-enyl)-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 103529443
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutan-2-yl)piperidin-4-amine
CID 103782629
1-(3-methylbut-2-enyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
CID 106210397
N-(3-methylbut-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 113825715
N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114615812

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine (CID 144804921) is ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine is CC.CC(C)=CCNC1CCN(C)CC1.
What is the InChIKey of ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is CUTXAGQLOIAROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-10(2)4-7-12-11-5-8-13(3)9-6-11;1-2/h4,11-12H,5-9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 144804921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).