N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine

C16H25NO — CID 87885157

IUPACN-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine
SMILESCC(C)(C)c1cccc(C2CCC(NO)CC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-6-4-5-13(11-14)12-7-9-15(17-18)10-8-12/h4-6,11-12,15,17-18H,7-10H2,1-3H3
InChIKeyWTMPSXRGEGXHNS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.99
Rot. Bonds2

About N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine

N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine (PubChem CID 87885157) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine
PubChem CID87885157
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine
SMILESCC(C)(C)c1cccc(C2CCC(NO)CC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)14-6-4-5-13(11-14)12-7-9-15(17-18)10-8-12/h4-6,11-12,15,17-18H,7-10H2,1-3H3
InChIKeyWTMPSXRGEGXHNS-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine?
The IUPAC name of N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine (CID 87885157) is N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine.
What is the SMILES notation for N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine?
The canonical SMILES for N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine is CC(C)(C)c1cccc(C2CCC(NO)CC2)c1.
What is the InChIKey of N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine?
The InChIKey is WTMPSXRGEGXHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)14-6-4-5-13(11-14)12-7-9-15(17-18)10-8-12/h4-6,11-12,15,17-18H,7-10H2,1-3H3.
What are the key properties of N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine?
N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine has a molecular weight of 247.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-tert-butylphenyl)cyclohexyl]hydroxylamine is sourced from PubChem (CID 87885157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).