(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone

C14H24N2O — CID 64555279

IUPAC(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CC3CCC2C3)C1
InChIInChI=1S/C14H24N2O/c1-10-3-2-6-14(15,8-10)13(17)16-9-11-4-5-12(16)7-11/h10-12H,2-9,15H2,1H3
InChIKeyGFCUFVHGHPWZAP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds1

About (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone

(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 64555279) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID64555279
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC1CCCC(N)(C(=O)N2CC3CCC2C3)C1
InChIInChI=1S/C14H24N2O/c1-10-3-2-6-14(15,8-10)13(17)16-9-11-4-5-12(16)7-11/h10-12H,2-9,15H2,1H3
InChIKeyGFCUFVHGHPWZAP-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone (CID 64555279) is (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone is CC1CCCC(N)(C(=O)N2CC3CCC2C3)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is GFCUFVHGHPWZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-3-2-6-14(15,8-10)13(17)16-9-11-4-5-12(16)7-11/h10-12H,2-9,15H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
(1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 64555279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).