3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine

C14H30N2 — CID 62438112

IUPAC3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCCCC1C
InChIInChI=1S/C14H30N2/c1-5-9-15-11-14(12(2)3)16-10-7-6-8-13(16)4/h12-15H,5-11H2,1-4H3
InChIKeyHLPYITBBIAJJNX-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine

3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine (PubChem CID 62438112) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
PubChem CID62438112
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCCCC1C
InChIInChI=1S/C14H30N2/c1-5-9-15-11-14(12(2)3)16-10-7-6-8-13(16)4/h12-15H,5-11H2,1-4H3
InChIKeyHLPYITBBIAJJNX-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
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-methyl-3-(2-methylazepan-1-yl)-N-propylbutan-1-amine
CID 79409081
2-methyl-1-(2-methylpentan-3-yl)piperidine
CID 89179224
3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine
CID 62421381
N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62439520
3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63167252
1-heptan-4-yl-2-methylpiperidine
CID 143279420
N-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887273
3-(2-ethylazepan-1-yl)-2-methyl-N-propylbutan-1-amine
CID 113441982
N-propyl-2-(2-propylpiperidin-1-yl)butan-1-amine
CID 83062092
3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
CID 79170163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine (CID 62438112) is 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine is CCCNCC(C(C)C)N1CCCCC1C.
What is the InChIKey of 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine?
The InChIKey is HLPYITBBIAJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-9-15-11-14(12(2)3)16-10-7-6-8-13(16)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine?
3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62438112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).