N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine

C10H20N2O2 — CID 143086392

IUPACN-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine
SMILESCC1(C)CC(NO)CC(C)(CN=O)C1
InChIInChI=1S/C10H20N2O2/c1-9(2)4-8(12-14)5-10(3,6-9)7-11-13/h8,12,14H,4-7H2,1-3H3
InChIKeyPTJUDPZOSQVBEP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.32
Rot. Bonds3

About N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine

N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine (PubChem CID 143086392) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine.

Molecular Properties

Compound NameN-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine
PubChem CID143086392
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine
SMILESCC1(C)CC(NO)CC(C)(CN=O)C1
InChIInChI=1S/C10H20N2O2/c1-9(2)4-8(12-14)5-10(3,6-9)7-11-13/h8,12,14H,4-7H2,1-3H3
InChIKeyPTJUDPZOSQVBEP-UHFFFAOYSA-N
XLogP2.32
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
CID 177172278
N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide
CID 58454419
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950
3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 144769247
1-methyl-1-(nitrosomethyl)cyclopentane
CID 88905050
[2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl] N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 102500143
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971

Frequently Asked Questions

What is the IUPAC name of N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine?
The IUPAC name of N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine (CID 143086392) is N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine.
What is the SMILES notation for N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine?
The canonical SMILES for N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine is CC1(C)CC(NO)CC(C)(CN=O)C1.
What is the InChIKey of N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine?
The InChIKey is PTJUDPZOSQVBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)4-8(12-14)5-10(3,6-9)7-11-13/h8,12,14H,4-7H2,1-3H3.
What are the key properties of N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine?
N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine has a molecular weight of 200.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,5-trimethyl-5-(nitrosomethyl)cyclohexyl]hydroxylamine is sourced from PubChem (CID 143086392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).