N,N-bis(2-nitrosopropyl)cyclohexanamine

C12H23N3O2 — CID 91137222

IUPACN,N-bis(2-nitrosopropyl)cyclohexanamine
SMILESCC(CN(CC(C)N=O)C1CCCCC1)N=O
InChIInChI=1S/C12H23N3O2/c1-10(13-16)8-15(9-11(2)14-17)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3
InChIKeyZTBJDMWRPFUCST-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.93
Rot. Bonds7

About N,N-bis(2-nitrosopropyl)cyclohexanamine

N,N-bis(2-nitrosopropyl)cyclohexanamine (PubChem CID 91137222) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-bis(2-nitrosopropyl)cyclohexanamine.

Molecular Properties

Compound NameN,N-bis(2-nitrosopropyl)cyclohexanamine
PubChem CID91137222
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN,N-bis(2-nitrosopropyl)cyclohexanamine
SMILESCC(CN(CC(C)N=O)C1CCCCC1)N=O
InChIInChI=1S/C12H23N3O2/c1-10(13-16)8-15(9-11(2)14-17)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3
InChIKeyZTBJDMWRPFUCST-UHFFFAOYSA-N
XLogP2.93
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-nitrosopropyl)cyclohexanamine?
The IUPAC name of N,N-bis(2-nitrosopropyl)cyclohexanamine (CID 91137222) is N,N-bis(2-nitrosopropyl)cyclohexanamine.
What is the SMILES notation for N,N-bis(2-nitrosopropyl)cyclohexanamine?
The canonical SMILES for N,N-bis(2-nitrosopropyl)cyclohexanamine is CC(CN(CC(C)N=O)C1CCCCC1)N=O.
What is the InChIKey of N,N-bis(2-nitrosopropyl)cyclohexanamine?
The InChIKey is ZTBJDMWRPFUCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(13-16)8-15(9-11(2)14-17)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of N,N-bis(2-nitrosopropyl)cyclohexanamine?
N,N-bis(2-nitrosopropyl)cyclohexanamine has a molecular weight of 241.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-nitrosopropyl)cyclohexanamine is sourced from PubChem (CID 91137222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).