O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine

C18H29NO — CID 117441210

IUPACO-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine
SMILESCC(C)(C)C1CCC(c2ccc(CCON)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-13-20-19/h4-7,16-17H,8-13,19H2,1-3H3
InChIKeyDSUYKPWJZLBLRM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.44
Rot. Bonds4

About O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine

O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine (PubChem CID 117441210) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine
PubChem CID117441210
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameO-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine
SMILESCC(C)(C)C1CCC(c2ccc(CCON)cc2)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-13-20-19/h4-7,16-17H,8-13,19H2,1-3H3
InChIKeyDSUYKPWJZLBLRM-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
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 O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine (CID 117441210) is O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine is CC(C)(C)C1CCC(c2ccc(CCON)cc2)CC1.
What is the InChIKey of O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine?
The InChIKey is DSUYKPWJZLBLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-13-20-19/h4-7,16-17H,8-13,19H2,1-3H3.
What are the key properties of O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine?
O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine has a molecular weight of 275.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-(4-tert-butylcyclohexyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117441210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).