2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine

C14H29N3 — CID 81467618

IUPAC2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1C1CC(C)N(C)C1
InChIInChI=1S/C14H29N3/c1-12-10-14(11-16(12)3)17-9-5-4-6-13(17)7-8-15-2/h12-15H,4-11H2,1-3H3
InChIKeyDJOBRLUHWLCBFY-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

About 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine

2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine (PubChem CID 81467618) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine
PubChem CID81467618
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1C1CC(C)N(C)C1
InChIInChI=1S/C14H29N3/c1-12-10-14(11-16(12)3)17-9-5-4-6-13(17)7-8-15-2/h12-15H,4-11H2,1-3H3
InChIKeyDJOBRLUHWLCBFY-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,2-dimethylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
CID 115311727
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine
CID 79950135
2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 114496491
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
1-(1,5-dimethylpyrrolidin-3-yl)-N-methylpiperidin-3-amine
CID 81467617
(1S,4S)-2-cyclopentyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 89206158
1-(1,5-dimethylpyrrolidin-3-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677981
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
CID 64731145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine (CID 81467618) is 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1C1CC(C)N(C)C1.
What is the InChIKey of 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine?
The InChIKey is DJOBRLUHWLCBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-10-14(11-16(12)3)17-9-5-4-6-13(17)7-8-15-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine?
2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 81467618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).