N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine

C15H32N2O — CID 103226698

IUPACN-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H32N2O/c1-13(2)9-16-10-14(11-18-5)17-8-6-7-15(3,4)12-17/h13-14,16H,6-12H2,1-5H3
InChIKeyBUSYHWHEUOOZEJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds7

About N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103226698) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103226698
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H32N2O/c1-13(2)9-16-10-14(11-18-5)17-8-6-7-15(3,4)12-17/h13-14,16H,6-12H2,1-5H3
InChIKeyBUSYHWHEUOOZEJ-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226962
N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957
N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359
2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropanoic acid
CID 103224775
N-[2-(4-ethoxypiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103225839
N-[2-(2-ethylthiomorpholin-4-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227294
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408655
2-(4,4-dimethylazepan-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 65286526
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025
3,3-dimethyl-1-pentadecan-8-ylpiperidine
CID 139447357

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103226698) is N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)N1CCCC(C)(C)C1.
What is the InChIKey of N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is BUSYHWHEUOOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)9-16-10-14(11-18-5)17-8-6-7-15(3,4)12-17/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103226698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).