1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine

C18H36N2 — CID 115566614

IUPAC1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
SMILESCCCCCCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C18H36N2/c1-4-5-6-7-8-9-13-19-18-11-15-20(16-12-18)14-10-17(2)3/h10,18-19H,4-9,11-16H2,1-3H3
InChIKeyVJHARDJFLQXBEL-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.37
Rot. Bonds10

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

1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine (PubChem CID 115566614) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
PubChem CID115566614
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
SMILESCCCCCCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C18H36N2/c1-4-5-6-7-8-9-13-19-18-11-15-20(16-12-18)14-10-17(2)3/h10,18-19H,4-9,11-16H2,1-3H3
InChIKeyVJHARDJFLQXBEL-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
CID 103780437
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine (CID 115566614) is 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine is CCCCCCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine?
The InChIKey is VJHARDJFLQXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-5-6-7-8-9-13-19-18-11-15-20(16-12-18)14-10-17(2)3/h10,18-19H,4-9,11-16H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine?
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine has a molecular weight of 280.50 g/mol, XLogP of 4.37, 10 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-octylpiperidin-4-amine is sourced from PubChem (CID 115566614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).