N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine

C17H36N2 — CID 55191409

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
SMILESCCCCCCCCNCC(C)CN1CCCCC1
InChIInChI=1S/C17H36N2/c1-3-4-5-6-7-9-12-18-15-17(2)16-19-13-10-8-11-14-19/h17-18H,3-16H2,1-2H3
InChIKeyKZGUYILNZGLMAE-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds11

About N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine

N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine (PubChem CID 55191409) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
PubChem CID55191409
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
SMILESCCCCCCCCNCC(C)CN1CCCCC1
InChIInChI=1S/C17H36N2/c1-3-4-5-6-7-9-12-18-15-17(2)16-19-13-10-8-11-14-19/h17-18H,3-16H2,1-2H3
InChIKeyKZGUYILNZGLMAE-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
5-methyl-N-octyl-6-piperidin-1-ylhexanamide
CID 166830239
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine (CID 55191409) is N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine is CCCCCCCCNCC(C)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine?
The InChIKey is KZGUYILNZGLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-3-4-5-6-7-9-12-18-15-17(2)16-19-13-10-8-11-14-19/h17-18H,3-16H2,1-2H3.
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine?
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine is sourced from PubChem (CID 55191409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).