N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine

C18H38N2 — CID 63527668

IUPACN-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
SMILESCCCCCCCCCN1CCCCC1CNCCC
InChIInChI=1S/C18H38N2/c1-3-5-6-7-8-9-11-15-20-16-12-10-13-18(20)17-19-14-4-2/h18-19H,3-17H2,1-2H3
InChIKeyGGFPRTBUBHITHJ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds12

About N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine

N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine (PubChem CID 63527668) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
PubChem CID63527668
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
SMILESCCCCCCCCCN1CCCCC1CNCCC
InChIInChI=1S/C18H38N2/c1-3-5-6-7-8-9-11-15-20-16-12-10-13-18(20)17-19-14-4-2/h18-19H,3-17H2,1-2H3
InChIKeyGGFPRTBUBHITHJ-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
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-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
2-methyl-N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
1-dodecyl-2-ethylpiperidine
CID 171569899
2-butyl-1-hexylpiperidine
CID 171569565
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
2-(bromomethyl)-1-heptylpiperidine
CID 80673779
(1-dodecylpiperidin-2-yl)methanamine
CID 63405140
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869

Frequently Asked Questions

What is the IUPAC name of N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine (CID 63527668) is N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine is CCCCCCCCCN1CCCCC1CNCCC.
What is the InChIKey of N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine?
The InChIKey is GGFPRTBUBHITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-3-5-6-7-8-9-11-15-20-16-12-10-13-18(20)17-19-14-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine?
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63527668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).