3,3-dimethyl-1-octan-2-ylpiperidin-4-amine

C15H32N2 — CID 114267629

IUPAC3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
SMILESCCCCCCC(C)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H32N2/c1-5-6-7-8-9-13(2)17-11-10-14(16)15(3,4)12-17/h13-14H,5-12,16H2,1-4H3
InChIKeyRUPPUZQUALUURM-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds6

About 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine

3,3-dimethyl-1-octan-2-ylpiperidin-4-amine (PubChem CID 114267629) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
PubChem CID114267629
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
SMILESCCCCCCC(C)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C15H32N2/c1-5-6-7-8-9-13(2)17-11-10-14(16)15(3,4)12-17/h13-14H,5-12,16H2,1-4H3
InChIKeyRUPPUZQUALUURM-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
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

4-hexyl-3,3-dimethyl-1-pentan-2-ylpyrrolidine
CID 91396905
1-dodecan-2-ylpyrrolidine
CID 70871228
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556
3,3-dimethyl-1-octan-2-yl-1,4-diazepane
CID 64943236
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
CID 62511473
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
1-octan-2-yl-3-propylpiperidine-3-carboxylic acid
CID 65069079
3-nonan-2-yl-1,3-oxazetidine
CID 134510422
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
1-heptan-2-ylpiperazine
CID 61464712

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine (CID 114267629) is 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine is CCCCCCC(C)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine?
The InChIKey is RUPPUZQUALUURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-7-8-9-13(2)17-11-10-14(16)15(3,4)12-17/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine?
3,3-dimethyl-1-octan-2-ylpiperidin-4-amine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-octan-2-ylpiperidin-4-amine is sourced from PubChem (CID 114267629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).