2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine

C15H32N2 — CID 80557474

IUPAC2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-5-6-7-8-15(4,13-16)17-11-9-14(2,3)10-12-17/h5-13,16H2,1-4H3
InChIKeyDELLFMXJIAZQMO-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.41
Rot. Bonds6

About 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine

2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine (PubChem CID 80557474) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
PubChem CID80557474
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
SMILESCCCCCC(C)(CN)N1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-5-6-7-8-15(4,13-16)17-11-9-14(2,3)10-12-17/h5-13,16H2,1-4H3
InChIKeyDELLFMXJIAZQMO-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
CID 63465976
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
CID 80557366
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine
CID 55157653
2-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 63157057
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-methyl-2-(4-phenylpiperazin-1-yl)heptan-1-amine
CID 78915727
2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535294
2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)heptan-1-amine
CID 80556440

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine (CID 80557474) is 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine is CCCCCC(C)(CN)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine?
The InChIKey is DELLFMXJIAZQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-7-8-15(4,13-16)17-11-9-14(2,3)10-12-17/h5-13,16H2,1-4H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine is sourced from PubChem (CID 80557474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).