[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine

C19H36N2 — CID 63471950

IUPAC[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
SMILESNCC1(N2CC3CCC2C3)CCCCCCCCCCC1
InChIInChI=1S/C19H36N2/c20-16-19(21-15-17-10-11-18(21)14-17)12-8-6-4-2-1-3-5-7-9-13-19/h17-18H,1-16,20H2
InChIKeyPLKOEYWGOYBSHQ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.47
Rot. Bonds2

About [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine

[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine (PubChem CID 63471950) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine.

Molecular Properties

Compound Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
PubChem CID63471950
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
SMILESNCC1(N2CC3CCC2C3)CCCCCCCCCCC1
InChIInChI=1S/C19H36N2/c20-16-19(21-15-17-10-11-18(21)14-17)12-8-6-4-2-1-3-5-7-9-13-19/h17-18H,1-16,20H2
InChIKeyPLKOEYWGOYBSHQ-UHFFFAOYSA-N
XLogP4.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine with MolForge

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Related Compounds

[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088275
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078715
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine
CID 54980477
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79959160
1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 114996091
[1-(2,3,5-trimethylpiperidin-1-yl)cycloheptyl]methanamine
CID 114592494
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333
[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]methanamine
CID 79941280
[1-(2,5-dimethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43544407
4-(2-azabicyclo[2.2.1]heptan-2-yl)thiane-4-carboxylic acid
CID 114996885

Frequently Asked Questions

What is the IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine?
The IUPAC name of [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine (CID 63471950) is [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine.
What is the SMILES notation for [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine?
The canonical SMILES for [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine is NCC1(N2CC3CCC2C3)CCCCCCCCCCC1.
What is the InChIKey of [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine?
The InChIKey is PLKOEYWGOYBSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c20-16-19(21-15-17-10-11-18(21)14-17)12-8-6-4-2-1-3-5-7-9-13-19/h17-18H,1-16,20H2.
What are the key properties of [1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine?
[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine has a molecular weight of 292.51 g/mol, XLogP of 4.47, 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-yl)cyclododecyl]methanamine is sourced from PubChem (CID 63471950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).