1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane

C16H30N2 — CID 63687029

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(CC2CC3CCC2C3)CCC(C)N1
InChIInChI=1S/C16H30N2/c1-12-5-7-18(8-6-13(2)17-12)11-16-10-14-3-4-15(16)9-14/h12-17H,3-11H2,1-2H3
InChIKeyVPYGWVJEDNEKNZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane

1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane (PubChem CID 63687029) 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)-4,6-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
PubChem CID63687029
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(CC2CC3CCC2C3)CCC(C)N1
InChIInChI=1S/C16H30N2/c1-12-5-7-18(8-6-13(2)17-12)11-16-10-14-3-4-15(16)9-14/h12-17H,3-11H2,1-2H3
InChIKeyVPYGWVJEDNEKNZ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dimethyl-1,5-diazocane
CID 63686847
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 79552323
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-bromoethyl)piperidine
CID 106838393
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]butanenitrile
CID 79551779
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038
(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
(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
CID 101081315
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63861531

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane (CID 63687029) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane is CC1CCN(CC2CC3CCC2C3)CCC(C)N1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane?
The InChIKey is VPYGWVJEDNEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-5-7-18(8-6-13(2)17-12)11-16-10-14-3-4-15(16)9-14/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane has a molecular weight of 250.43 g/mol, XLogP of 2.88, 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)-4,6-dimethyl-1,5-diazocane is sourced from PubChem (CID 63687029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).