O-[3-(cyclohexylamino)propyl]hydroxylamine

C9H20N2O — CID 139932359

IUPACO-[3-(cyclohexylamino)propyl]hydroxylamine
SMILESNOCCCNC1CCCCC1
InChIInChI=1S/C9H20N2O/c10-12-8-4-7-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
InChIKeyDQPSMEPZGIZULM-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.19
Rot. Bonds5

About O-[3-(cyclohexylamino)propyl]hydroxylamine

O-[3-(cyclohexylamino)propyl]hydroxylamine (PubChem CID 139932359) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is O-[3-(cyclohexylamino)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(cyclohexylamino)propyl]hydroxylamine
PubChem CID139932359
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameO-[3-(cyclohexylamino)propyl]hydroxylamine
SMILESNOCCCNC1CCCCC1
InChIInChI=1S/C9H20N2O/c10-12-8-4-7-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
InChIKeyDQPSMEPZGIZULM-UHFFFAOYSA-N
XLogP1.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(cyclobutylamino)ethyl]hydroxylamine
CID 117126921
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
3-(cyclohexylamino)propyl sulfite
CID 57055219
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
N'-cycloundecylethane-1,2-diamine
CID 166845791
N-(5-methoxypentyl)cyclooctanamine
CID 115714847

Frequently Asked Questions

What is the IUPAC name of O-[3-(cyclohexylamino)propyl]hydroxylamine?
The IUPAC name of O-[3-(cyclohexylamino)propyl]hydroxylamine (CID 139932359) is O-[3-(cyclohexylamino)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(cyclohexylamino)propyl]hydroxylamine?
The canonical SMILES for O-[3-(cyclohexylamino)propyl]hydroxylamine is NOCCCNC1CCCCC1.
What is the InChIKey of O-[3-(cyclohexylamino)propyl]hydroxylamine?
The InChIKey is DQPSMEPZGIZULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c10-12-8-4-7-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2.
What are the key properties of O-[3-(cyclohexylamino)propyl]hydroxylamine?
O-[3-(cyclohexylamino)propyl]hydroxylamine has a molecular weight of 172.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(cyclohexylamino)propyl]hydroxylamine is sourced from PubChem (CID 139932359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).