6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C16H30N2 — CID 176841382

IUPAC6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)(C)N1C2CC1CN(CC1CCCCC1)C2
InChIInChI=1S/C16H30N2/c1-16(2,3)18-14-9-15(18)12-17(11-14)10-13-7-5-4-6-8-13/h13-15H,4-12H2,1-3H3
InChIKeyGNYDWMJYENKISY-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.12
Rot. Bonds2

About 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane

6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 176841382) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID176841382
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)(C)N1C2CC1CN(CC1CCCCC1)C2
InChIInChI=1S/C16H30N2/c1-16(2,3)18-14-9-15(18)12-17(11-14)10-13-7-5-4-6-8-13/h13-15H,4-12H2,1-3H3
InChIKeyGNYDWMJYENKISY-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-3-[(6-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841524
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
(1R,4R)-2-tert-butyl-5-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841722
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
6-tert-butyl-3-[(4-tert-butyl-3,5-dimethylpiperazin-1-yl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 176841935
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine
CID 163498148
(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563547
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
(1S,5R)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615808
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 171445186

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane (CID 176841382) is 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane is CC(C)(C)N1C2CC1CN(CC1CCCCC1)C2.
What is the InChIKey of 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is GNYDWMJYENKISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(2,3)18-14-9-15(18)12-17(11-14)10-13-7-5-4-6-8-13/h13-15H,4-12H2,1-3H3.
What are the key properties of 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 250.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 176841382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).