1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine

C16H34N2 — CID 129254171

IUPAC1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine
SMILESCCCCCCC(C)(CC)NC1CCN(C)CC1
InChIInChI=1S/C16H34N2/c1-5-7-8-9-12-16(3,6-2)17-15-10-13-18(4)14-11-15/h15,17H,5-14H2,1-4H3
InChIKeyASBHQJJTPPTUNG-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds8

About 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine

1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine (PubChem CID 129254171) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine
PubChem CID129254171
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine
SMILESCCCCCCC(C)(CC)NC1CCN(C)CC1
InChIInChI=1S/C16H34N2/c1-5-7-8-9-12-16(3,6-2)17-15-10-13-18(4)14-11-15/h15,17H,5-14H2,1-4H3
InChIKeyASBHQJJTPPTUNG-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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-methyl-N-(3-methylpentan-3-yl)piperidin-4-amine
CID 115920386
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
N-(4-methyldecan-4-yl)cyclohexanamine
CID 139320113
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-(3-methylhexan-3-yl)thian-4-amine
CID 139319987
2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
CID 115927628
N-(6-methyldodecan-6-yl)-1-methylsulfonylazetidin-3-amine
CID 146436756
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788794
1,4-dimethylpiperidine;ethane;heptane
CID 156708934
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine (CID 129254171) is 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine is CCCCCCC(C)(CC)NC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine?
The InChIKey is ASBHQJJTPPTUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-8-9-12-16(3,6-2)17-15-10-13-18(4)14-11-15/h15,17H,5-14H2,1-4H3.
What are the key properties of 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine?
1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylnonan-3-yl)piperidin-4-amine is sourced from PubChem (CID 129254171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).