[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine

C14H27N3 — CID 105365573

IUPAC[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1C1CCN2CCC1C2
InChIInChI=1S/C14H27N3/c1-11-2-3-12(8-15)9-17(11)14-5-7-16-6-4-13(14)10-16/h11-14H,2-10,15H2,1H3
InChIKeyMQJCPYJHHVIAKT-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.14
Rot. Bonds2

About [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine

[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine (PubChem CID 105365573) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine
PubChem CID105365573
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1C1CCN2CCC1C2
InChIInChI=1S/C14H27N3/c1-11-2-3-12(8-15)9-17(11)14-5-7-16-6-4-13(14)10-16/h11-14H,2-10,15H2,1H3
InChIKeyMQJCPYJHHVIAKT-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

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Frequently Asked Questions

What is the IUPAC name of [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine (CID 105365573) is [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine is CC1CCC(CN)CN1C1CCN2CCC1C2.
What is the InChIKey of [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine?
The InChIKey is MQJCPYJHHVIAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-2-3-12(8-15)9-17(11)14-5-7-16-6-4-13(14)10-16/h11-14H,2-10,15H2,1H3.
What are the key properties of [1-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine?
[1-(1-azabicyclo[3.2.1]octan-4-yl)-6-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-(1-azabicyclo[3.2.1]octan-4-yl)-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 105365573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).