N-cyclohexyl-N-deuteriocyclohexanamine

C12H23N — CID 175910061

IUPACN-cyclohexyl-N-deuteriocyclohexanamine
SMILES[2H]N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2/i/hD
InChIKeyXBPCUCUWBYBCDP-DYCDLGHISA-N
MW182.33 g/mol
LogP3.24
Rot. Bonds2

About N-cyclohexyl-N-deuteriocyclohexanamine

N-cyclohexyl-N-deuteriocyclohexanamine (PubChem CID 175910061) has the molecular formula C12H23N and a molecular weight of 182.33 g/mol. Its IUPAC name is N-cyclohexyl-N-deuteriocyclohexanamine.

Molecular Properties

Compound NameN-cyclohexyl-N-deuteriocyclohexanamine
PubChem CID175910061
Molecular FormulaC12H23N
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC NameN-cyclohexyl-N-deuteriocyclohexanamine
SMILES[2H]N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2/i/hD
InChIKeyXBPCUCUWBYBCDP-DYCDLGHISA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43384781
N-chlorocyclohexanamine;platinum
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CID 178075787
CID 178075787
cyclohexylhydrazine;dihydrochloride
CID 45074971

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-deuteriocyclohexanamine?
The IUPAC name of N-cyclohexyl-N-deuteriocyclohexanamine (CID 175910061) is N-cyclohexyl-N-deuteriocyclohexanamine.
What is the SMILES notation for N-cyclohexyl-N-deuteriocyclohexanamine?
The canonical SMILES for N-cyclohexyl-N-deuteriocyclohexanamine is [2H]N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-deuteriocyclohexanamine?
The InChIKey is XBPCUCUWBYBCDP-DYCDLGHISA-N. The full InChI is InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2/i/hD.
What are the key properties of N-cyclohexyl-N-deuteriocyclohexanamine?
N-cyclohexyl-N-deuteriocyclohexanamine has a molecular weight of 182.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-deuteriocyclohexanamine is sourced from PubChem (CID 175910061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).