1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine

C14H26N2 — CID 64554255

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CN2CC3CCC2C3)C1
InChIInChI=1S/C14H26N2/c1-11-3-2-6-14(15,8-11)10-16-9-12-4-5-13(16)7-12/h11-13H,2-10,15H2,1H3
InChIKeyOSSMNQOYODPMFT-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.38
Rot. Bonds2

About 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine

1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine (PubChem CID 64554255) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine
PubChem CID64554255
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CN2CC3CCC2C3)C1
InChIInChI=1S/C14H26N2/c1-11-3-2-6-14(15,8-11)10-16-9-12-4-5-13(16)7-12/h11-13H,2-10,15H2,1H3
InChIKeyOSSMNQOYODPMFT-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine (CID 64554255) is 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(CN2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine?
The InChIKey is OSSMNQOYODPMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-3-2-6-14(15,8-11)10-16-9-12-4-5-13(16)7-12/h11-13H,2-10,15H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine?
1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64554255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).