nitrosomethylcyclotetracontane

C41H81NO — CID 146552896

IUPACnitrosomethylcyclotetracontane
SMILESO=NCC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C41H81NO/c43-42-40-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41/h41H,1-40H2
InChIKeyKVVVREQFNNNMED-UHFFFAOYSA-N
MW604.11 g/mol
LogP15.60
Rot. Bonds2

About nitrosomethylcyclotetracontane

nitrosomethylcyclotetracontane (PubChem CID 146552896) has the molecular formula C41H81NO and a molecular weight of 604.11 g/mol. Its IUPAC name is nitrosomethylcyclotetracontane.

Molecular Properties

Compound Namenitrosomethylcyclotetracontane
PubChem CID146552896
Molecular FormulaC41H81NO
Molecular Weight604.11 g/mol
Exact Mass603.63
IUPAC Namenitrosomethylcyclotetracontane
SMILESO=NCC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C41H81NO/c43-42-40-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41/h41H,1-40H2
InChIKeyKVVVREQFNNNMED-UHFFFAOYSA-N
XLogP15.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.11
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze nitrosomethylcyclotetracontane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitrosoethylcyclooctane
CID 129141307
2-nitrosoethylcyclotridecane
CID 138619052
1-(isocyanatomethyl)-3-(nitrosomethyl)cyclohexane
CID 134350414
cycloheptylmethanesulfonyl fluoride
CID 115019897
isocyanatomethylcyclohexane;isocyanic acid
CID 139385004
nitrososulfanylmethylcyclohexane
CID 90392555
cyclopentadecylmethylcyclopentadecane
CID 91804599
2-cyclohexylethyl nitrite
CID 125485427
methyl 4-(nitrosomethyl)cyclohexane-1-carboxylate
CID 123916725
N-(cyclohexylmethyl)-N'-methylideneethane-1,2-diimine
CID 166811250
2-fluoroethylcyclodecane
CID 70177675
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779

Frequently Asked Questions

What is the IUPAC name of nitrosomethylcyclotetracontane?
The IUPAC name of nitrosomethylcyclotetracontane (CID 146552896) is nitrosomethylcyclotetracontane.
What is the SMILES notation for nitrosomethylcyclotetracontane?
The canonical SMILES for nitrosomethylcyclotetracontane is O=NCC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1.
What is the InChIKey of nitrosomethylcyclotetracontane?
The InChIKey is KVVVREQFNNNMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H81NO/c43-42-40-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41/h41H,1-40H2.
What are the key properties of nitrosomethylcyclotetracontane?
nitrosomethylcyclotetracontane has a molecular weight of 604.11 g/mol, XLogP of 15.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosomethylcyclotetracontane is sourced from PubChem (CID 146552896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).