O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride

C11H26ClNO — CID 175022077

IUPACO-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride
SMILESCC1CC1(C)C.CCCCCON.Cl
InChIInChI=1S/C6H12.C5H13NO.ClH/c1-5-4-6(5,2)3;1-2-3-4-5-7-6;/h5H,4H2,1-3H3;2-6H2,1H3;1H
InChIKeyQYFGNQZSGDYONX-UHFFFAOYSA-N
MW223.79 g/mol
LogP3.54
Rot. Bonds4

About O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride

O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride (PubChem CID 175022077) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride.

Molecular Properties

Compound NameO-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride
PubChem CID175022077
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC NameO-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride
SMILESCC1CC1(C)C.CCCCCON.Cl
InChIInChI=1S/C6H12.C5H13NO.ClH/c1-5-4-6(5,2)3;1-2-3-4-5-7-6;/h5H,4H2,1-3H3;2-6H2,1H3;1H
InChIKeyQYFGNQZSGDYONX-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 53.54
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'}

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Related Compounds

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CID 59050271
O-nonylhydroxylamine
CID 5118359
O-octacosylhydroxylamine
CID 151286755
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CID 174943876
O-decylhydroxylamine;hydrazine
CID 158088007
azane;O-butylhydroxylamine;dihydrochloride
CID 19968679
O-butylhydroxylamine;hydroxylamine
CID 19968689
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
CID 155310542
O-(12-aminooxydodecyl)hydroxylamine
CID 134994458
octyl 2,6-diethyl-2,3,6-trimethylpiperidine-1-carboxylate
CID 22754576
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854

Frequently Asked Questions

What is the IUPAC name of O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride?
The IUPAC name of O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride (CID 175022077) is O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride.
What is the SMILES notation for O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride?
The canonical SMILES for O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride is CC1CC1(C)C.CCCCCON.Cl.
What is the InChIKey of O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride?
The InChIKey is QYFGNQZSGDYONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H13NO.ClH/c1-5-4-6(5,2)3;1-2-3-4-5-7-6;/h5H,4H2,1-3H3;2-6H2,1H3;1H.
What are the key properties of O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride?
O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-pentylhydroxylamine;1,1,2-trimethylcyclopropane;hydrochloride is sourced from PubChem (CID 175022077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).