3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

C14H24F2N2 — CID 114224398

IUPAC3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESFC1(F)CCCC(CN2CCC3CCC(C2)N3)C1
InChIInChI=1S/C14H24F2N2/c15-14(16)6-1-2-11(8-14)9-18-7-5-12-3-4-13(10-18)17-12/h11-13,17H,1-10H2
InChIKeySWIUWROTMQXOQS-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.64
Rot. Bonds2

About 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 114224398) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID114224398
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESFC1(F)CCCC(CN2CCC3CCC(C2)N3)C1
InChIInChI=1S/C14H24F2N2/c15-14(16)6-1-2-11(8-14)9-18-7-5-12-3-4-13(10-18)17-12/h11-13,17H,1-10H2
InChIKeySWIUWROTMQXOQS-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane with MolForge

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Related Compounds

1-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 61977923
1-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 61978122
1-propan-2-yl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 61978921
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 62976533
1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 62976711
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 62976918
N-[2-(azepan-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753667
N-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 64754721
N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 64754893
N-propyl-N-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 64754894
N-[4-(trifluoromethyl)cyclohexyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 64755272
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755457

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (CID 114224398) is 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is FC1(F)CCCC(CN2CCC3CCC(C2)N3)C1.
What is the InChIKey of 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is SWIUWROTMQXOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2/c15-14(16)6-1-2-11(8-14)9-18-7-5-12-3-4-13(10-18)17-12/h11-13,17H,1-10H2.
What are the key properties of 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 258.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 114224398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).