N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H32N2O — CID 103779857

IUPACN-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)7-11-18-12-8-16(9-13-18)17-10-5-4-6-14-19-3/h7,16-17H,4-6,8-14H2,1-3H3
InChIKeyHLQOIHYVACSHNN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.82
Rot. Bonds9

About N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 103779857) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID103779857
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-15(2)7-11-18-12-8-16(9-13-18)17-10-5-4-6-14-19-3/h7,16-17H,4-6,8-14H2,1-3H3
InChIKeyHLQOIHYVACSHNN-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235
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-(5-methoxypentyl)thian-4-amine
CID 103631860
N'-cyclopropyl-N'-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
CID 103780437

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 103779857) is N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is COCCCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is HLQOIHYVACSHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2)7-11-18-12-8-16(9-13-18)17-10-5-4-6-14-19-3/h7,16-17H,4-6,8-14H2,1-3H3.
What are the key properties of N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 103779857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).