1-hexyl-4-methylpiperidin-4-amine

C12H26N2 — CID 142516140

IUPAC1-hexyl-4-methylpiperidin-4-amine
SMILESCCCCCCN1CCC(C)(N)CC1
InChIInChI=1S/C12H26N2/c1-3-4-5-6-9-14-10-7-12(2,13)8-11-14/h3-11,13H2,1-2H3
InChIKeyBGOURMOVHUYTTC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds5

About 1-hexyl-4-methylpiperidin-4-amine

1-hexyl-4-methylpiperidin-4-amine (PubChem CID 142516140) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-hexyl-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-hexyl-4-methylpiperidin-4-amine
PubChem CID142516140
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-hexyl-4-methylpiperidin-4-amine
SMILESCCCCCCN1CCC(C)(N)CC1
InChIInChI=1S/C12H26N2/c1-3-4-5-6-9-14-10-7-12(2,13)8-11-14/h3-11,13H2,1-2H3
InChIKeyBGOURMOVHUYTTC-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
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

1-hexyl-4,4-dimethylpiperidine
CID 18722930
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4,4-difluoro-1-heptylpiperidine
CID 138507375
4,4-dimethyl-1-pentylazepane
CID 18723213
1-heptyl-4-methylpiperidine-4-carboxylic acid
CID 55176415
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769
1-decyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161754
1-heptyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161726
1-heptylazetidine
CID 134402356
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methylpiperidin-4-amine?
The IUPAC name of 1-hexyl-4-methylpiperidin-4-amine (CID 142516140) is 1-hexyl-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-hexyl-4-methylpiperidin-4-amine?
The canonical SMILES for 1-hexyl-4-methylpiperidin-4-amine is CCCCCCN1CCC(C)(N)CC1.
What is the InChIKey of 1-hexyl-4-methylpiperidin-4-amine?
The InChIKey is BGOURMOVHUYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-5-6-9-14-10-7-12(2,13)8-11-14/h3-11,13H2,1-2H3.
What are the key properties of 1-hexyl-4-methylpiperidin-4-amine?
1-hexyl-4-methylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methylpiperidin-4-amine is sourced from PubChem (CID 142516140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).