[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine

C14H29N3 — CID 81468812

IUPAC[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC(C)(C)CC2)CN1C
InChIInChI=1S/C14H29N3/c1-12-9-14(10-15,11-16(12)4)17-7-5-13(2,3)6-8-17/h12H,5-11,15H2,1-4H3
InChIKeyGVTZQQYOGOQIQV-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds2

About [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine

[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 81468812) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID81468812
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC(C)(C)CC2)CN1C
InChIInChI=1S/C14H29N3/c1-12-9-14(10-15,11-16(12)4)17-7-5-13(2,3)6-8-17/h12H,5-11,15H2,1-4H3
InChIKeyGVTZQQYOGOQIQV-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine (CID 81468812) is [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine is CC1CC(CN)(N2CCC(C)(C)CC2)CN1C.
What is the InChIKey of [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is GVTZQQYOGOQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-9-14(10-15,11-16(12)4)17-7-5-13(2,3)6-8-17/h12H,5-11,15H2,1-4H3.
What are the key properties of [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81468812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).