1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane

C16H30N2 — CID 63686847

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
SMILESCC1CNC(C)CCN(CC2CC3CCC2C3)C1
InChIInChI=1S/C16H30N2/c1-12-9-17-13(2)5-6-18(10-12)11-16-8-14-3-4-15(16)7-14/h12-17H,3-11H2,1-2H3
InChIKeyYAIQRSUHPPBUDT-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane

1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane (PubChem CID 63686847) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
PubChem CID63686847
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
SMILESCC1CNC(C)CCN(CC2CC3CCC2C3)C1
InChIInChI=1S/C16H30N2/c1-12-9-17-13(2)5-6-18(10-12)11-16-8-14-3-4-15(16)7-14/h12-17H,3-11H2,1-2H3
InChIKeyYAIQRSUHPPBUDT-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243603
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
CID 79550803
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
(3aR,6aS)-5-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660823
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
CID 122121229
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 79552323
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-bromoethyl)piperidine
CID 106838393

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane (CID 63686847) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane is CC1CNC(C)CCN(CC2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane?
The InChIKey is YAIQRSUHPPBUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-9-17-13(2)5-6-18(10-12)11-16-8-14-3-4-15(16)7-14/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane?
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane has a molecular weight of 250.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane is sourced from PubChem (CID 63686847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).