1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine

C13H24N2 — CID 43755403

IUPAC1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
SMILESC=CCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H24N2/c1-4-8-14-13-6-10-15(11-7-13)9-5-12(2)3/h4-5,13-14H,1,6-11H2,2-3H3
InChIKeyHGLVQTGNAZVUGT-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.19
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine

1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine (PubChem CID 43755403) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
PubChem CID43755403
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
SMILESC=CCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H24N2/c1-4-8-14-13-6-10-15(11-7-13)9-5-12(2)3/h4-5,13-14H,1,6-11H2,2-3H3
InChIKeyHGLVQTGNAZVUGT-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.19
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

N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propane-1,2-diol
CID 66177156
N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
CID 103780437
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 103271380
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
1-(3-methylbut-2-enyl)-N-[(1-methylcyclobutyl)methyl]piperidin-4-amine
CID 103903178
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine (CID 43755403) is 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine is C=CCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine?
The InChIKey is HGLVQTGNAZVUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-8-14-13-6-10-15(11-7-13)9-5-12(2)3/h4-5,13-14H,1,6-11H2,2-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine?
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine has a molecular weight of 208.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 43755403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).