N-(cyclohexylmethyl)-N-pentylhydroxylamine

C12H25NO — CID 172717910

IUPACN-(cyclohexylmethyl)-N-pentylhydroxylamine
SMILESCCCCCN(O)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-7-10-13(14)11-12-8-5-4-6-9-12/h12,14H,2-11H2,1H3
InChIKeyGCPDMYMDOOAJNU-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.45
Rot. Bonds6

About N-(cyclohexylmethyl)-N-pentylhydroxylamine

N-(cyclohexylmethyl)-N-pentylhydroxylamine (PubChem CID 172717910) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-pentylhydroxylamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-pentylhydroxylamine
PubChem CID172717910
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(cyclohexylmethyl)-N-pentylhydroxylamine
SMILESCCCCCN(O)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-2-3-7-10-13(14)11-12-8-5-4-6-9-12/h12,14H,2-11H2,1H3
InChIKeyGCPDMYMDOOAJNU-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-N-pentylhydroxylamine 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

N-butyl-N-(cyclohexylmethyl)hydroxylamine
CID 172752366
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
butane;N,N-dioctylhydroxylamine
CID 166773376
N,N-dihexylhydroxylamine;propane
CID 166773382
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-pentylhydroxylamine?
The IUPAC name of N-(cyclohexylmethyl)-N-pentylhydroxylamine (CID 172717910) is N-(cyclohexylmethyl)-N-pentylhydroxylamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-pentylhydroxylamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-pentylhydroxylamine is CCCCCN(O)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-pentylhydroxylamine?
The InChIKey is GCPDMYMDOOAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-7-10-13(14)11-12-8-5-4-6-9-12/h12,14H,2-11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-pentylhydroxylamine?
N-(cyclohexylmethyl)-N-pentylhydroxylamine has a molecular weight of 199.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-pentylhydroxylamine is sourced from PubChem (CID 172717910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).