8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine

C19H36N2 — CID 61233266

IUPAC8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2C1CCCCCCCCCCC1
InChIInChI=1S/C19H36N2/c20-16-14-18-12-13-19(15-16)21(18)17-10-8-6-4-2-1-3-5-7-9-11-17/h16-19H,1-15,20H2
InChIKeyIYWRSFNGOQGRQN-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.61
Rot. Bonds1

About 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine

8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233266) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233266
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2C1CCCCCCCCCCC1
InChIInChI=1S/C19H36N2/c20-16-14-18-12-13-19(15-16)21(18)17-10-8-6-4-2-1-3-5-7-9-11-17/h16-19H,1-15,20H2
InChIKeyIYWRSFNGOQGRQN-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61233266) is 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2C1CCCCCCCCCCC1.
What is the InChIKey of 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IYWRSFNGOQGRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c20-16-14-18-12-13-19(15-16)21(18)17-10-8-6-4-2-1-3-5-7-9-11-17/h16-19H,1-15,20H2.
What are the key properties of 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine?
8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 292.51 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclododecyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).