N-cyclohexylcyclohexanamine;2-nitrophenol

C18H28N2O3 — CID 14647254

IUPACN-cyclohexylcyclohexanamine;2-nitrophenol
SMILESC1CCC(NC2CCCCC2)CC1.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C12H23N.C6H5NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-13H,1-10H2;1-4,8H
InChIKeySMWYHBWSQMJGEE-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.54
Rot. Bonds3

About N-cyclohexylcyclohexanamine;2-nitrophenol

N-cyclohexylcyclohexanamine;2-nitrophenol (PubChem CID 14647254) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;2-nitrophenol.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;2-nitrophenol
PubChem CID14647254
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-cyclohexylcyclohexanamine;2-nitrophenol
SMILESC1CCC(NC2CCCCC2)CC1.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C12H23N.C6H5NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-13H,1-10H2;1-4,8H
InChIKeySMWYHBWSQMJGEE-UHFFFAOYSA-N
XLogP4.54
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

disodium;hydride;2-nitrophenol
CID 174745512
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CID 133126775
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
1-cyclohexyl-3-(2-nitroanilino)urea
CID 4137702
2-cyclohexyl-6-nitrophenol;2-cyclohexylphenol
CID 159298843
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CID 20538790
1-chloro-2-nitrobenzene;2-nitrophenol
CID 175689577
2-chlorophenol;2-nitrophenol
CID 23467444
cyclohexyl-(2-nitrophenyl)methanone
CID 82116139
(R)-cyclopentyl-(2-nitrophenyl)methanol
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CID 91645413

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;2-nitrophenol?
The IUPAC name of N-cyclohexylcyclohexanamine;2-nitrophenol (CID 14647254) is N-cyclohexylcyclohexanamine;2-nitrophenol.
What is the SMILES notation for N-cyclohexylcyclohexanamine;2-nitrophenol?
The canonical SMILES for N-cyclohexylcyclohexanamine;2-nitrophenol is C1CCC(NC2CCCCC2)CC1.O=[N+]([O-])c1ccccc1O.
What is the InChIKey of N-cyclohexylcyclohexanamine;2-nitrophenol?
The InChIKey is SMWYHBWSQMJGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C6H5NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-13H,1-10H2;1-4,8H.
What are the key properties of N-cyclohexylcyclohexanamine;2-nitrophenol?
N-cyclohexylcyclohexanamine;2-nitrophenol has a molecular weight of 320.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;2-nitrophenol is sourced from PubChem (CID 14647254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).