3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane

C17H32N2 — CID 107429445

IUPAC3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(C)CC1CCCC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C17H32N2/c1-13(2)10-14-4-3-5-17(11-14)19-9-8-15-6-7-16(12-19)18-15/h13-18H,3-12H2,1-2H3
InChIKeyZJMQKXHCSBEJDT-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds3

About 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane

3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 107429445) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID107429445
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCC(C)CC1CCCC(N2CCC3CCC(C2)N3)C1
InChIInChI=1S/C17H32N2/c1-13(2)10-14-4-3-5-17(11-14)19-9-8-15-6-7-16(12-19)18-15/h13-18H,3-12H2,1-2H3
InChIKeyZJMQKXHCSBEJDT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
CID 107429401
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
1-[3-(2-methylpropyl)cyclohexyl]azetidine-3-carboxylic acid
CID 107430456
3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
CID 115313678
3-[1-[3-(2-methylpropyl)cyclohexyl]pyrrolidin-3-yl]propanoic acid
CID 107430477
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284769
4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107430438
3-(1-methylpyrrolidin-3-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313910
3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126845696
2-[4-[3-(2-methylpropyl)cyclohexyl]-1,4-diazepan-1-yl]acetic acid
CID 107430433
2-[3-(2-methylpropyl)cyclohexyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 107429453

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane (CID 107429445) is 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane is CC(C)CC1CCCC(N2CCC3CCC(C2)N3)C1.
What is the InChIKey of 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is ZJMQKXHCSBEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13(2)10-14-4-3-5-17(11-14)19-9-8-15-6-7-16(12-19)18-15/h13-18H,3-12H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane?
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 264.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 107429445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).