[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine

C14H27N3 — CID 114959788

IUPAC[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C2CCN3CCCC23)CC1CN
InChIInChI=1S/C14H27N3/c1-11-4-7-17(10-12(11)9-15)14-5-8-16-6-2-3-13(14)16/h11-14H,2-10,15H2,1H3
InChIKeyIHZPSPHDKPMZJH-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.14
Rot. Bonds2

About [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine

[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114959788) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114959788
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C2CCN3CCCC23)CC1CN
InChIInChI=1S/C14H27N3/c1-11-4-7-17(10-12(11)9-15)14-5-8-16-6-2-3-13(14)16/h11-14H,2-10,15H2,1H3
InChIKeyIHZPSPHDKPMZJH-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine with MolForge

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Related Compounds

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]cyclopentan-1-ol
CID 114961215
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpyrrolidin-3-amine
CID 103575631
[1-(2,5-dimethylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114959766
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363
[1-(1,2-dimethylpiperidin-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960031
[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960162
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
CID 114960152
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
4-methyl-1-(2-methylcyclopentyl)piperidin-3-amine
CID 65044935
[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
CID 106823035
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine (CID 114959788) is [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(C2CCN3CCCC23)CC1CN.
What is the InChIKey of [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is IHZPSPHDKPMZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-4-7-17(10-12(11)9-15)14-5-8-16-6-2-3-13(14)16/h11-14H,2-10,15H2,1H3.
What are the key properties of [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine?
[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114959788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).