3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane

C16H30N2 — CID 113284769

IUPAC3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(C)C1CCC(N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C16H30N2/c1-12(2)13-3-7-16(8-4-13)18-10-9-14-5-6-15(11-18)17-14/h12-17H,3-11H2,1-2H3
InChIKeyYXRSFMNREPIKHU-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds2

About 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane

3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 113284769) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID113284769
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(C)C1CCC(N2CCC3CCC(C2)N3)CC1
InChIInChI=1S/C16H30N2/c1-12(2)13-3-7-16(8-4-13)18-10-9-14-5-6-15(11-18)17-14/h12-17H,3-11H2,1-2H3
InChIKeyYXRSFMNREPIKHU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
CID 115313678
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
CID 166046474
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313910
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83262147
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 107429445
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
N-methyl-1-(4-propan-2-ylcyclohexyl)piperidin-3-amine
CID 62703750
[4-(4-propan-2-ylcyclohexyl)morpholin-2-yl]methanamine
CID 114397877

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane (CID 113284769) is 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane is CC(C)C1CCC(N2CCC3CCC(C2)N3)CC1.
What is the InChIKey of 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is YXRSFMNREPIKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12(2)13-3-7-16(8-4-13)18-10-9-14-5-6-15(11-18)17-14/h12-17H,3-11H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 250.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 113284769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).