9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C14H26N2O — CID 20522628

IUPAC9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESNC1CC2COCC(C1)N2CC1CCCCC1
InChIInChI=1S/C14H26N2O/c15-12-6-13-9-17-10-14(7-12)16(13)8-11-4-2-1-3-5-11/h11-14H,1-10,15H2
InChIKeySBIORXKRXVMGAE-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds2

About 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 20522628) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID20522628
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESNC1CC2COCC(C1)N2CC1CCCCC1
InChIInChI=1S/C14H26N2O/c15-12-6-13-9-17-10-14(7-12)16(13)8-11-4-2-1-3-5-11/h11-14H,1-10,15H2
InChIKeySBIORXKRXVMGAE-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 20522628) is 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is NC1CC2COCC(C1)N2CC1CCCCC1.
What is the InChIKey of 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is SBIORXKRXVMGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-12-6-13-9-17-10-14(7-12)16(13)8-11-4-2-1-3-5-11/h11-14H,1-10,15H2.
What are the key properties of 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 238.37 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 20522628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).