N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate

C9H23NO2 — CID 174615959

IUPACN-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate
SMILESCCC(CC)CCN(O)CC.O
InChIInChI=1S/C9H21NO.H2O/c1-4-9(5-2)7-8-10(11)6-3;/h9,11H,4-8H2,1-3H3;1H2
InChIKeyZCQCOYZKJVCTKN-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate

N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate (PubChem CID 174615959) has the molecular formula C9H23NO2 and a molecular weight of 177.29 g/mol. Its IUPAC name is N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate.

Molecular Properties

Compound NameN-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate
PubChem CID174615959
Molecular FormulaC9H23NO2
Molecular Weight177.29 g/mol
Exact Mass177.17
IUPAC NameN-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate
SMILESCCC(CC)CCN(O)CC.O
InChIInChI=1S/C9H21NO.H2O/c1-4-9(5-2)7-8-10(11)6-3;/h9,11H,4-8H2,1-3H3;1H2
InChIKeyZCQCOYZKJVCTKN-UHFFFAOYSA-N
XLogP1.70
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.70
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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Related Compounds

3,6-diethyloctane
CID 526424
N-(3-ethylpentyl)-N-methylpropanamide
CID 145216447
sodium;N,N-diethylhydroxylamine;hydride
CID 173441828
3,7-diethylnonane
CID 22089120
5-ethyl-2-methylheptane-1-thiol
CID 89234473
12-[ethyl(hydroxy)amino]dodecan-1-ol
CID 89414611
(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine
CID 59155006
(3R)-3-ethyl-6-[ethyl(methyl)amino]hexan-1-ol
CID 118890243
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
N,3-diethyl-N-methyloctan-1-amine
CID 143503183
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate?
The IUPAC name of N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate (CID 174615959) is N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate.
What is the SMILES notation for N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate?
The canonical SMILES for N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate is CCC(CC)CCN(O)CC.O.
What is the InChIKey of N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate?
The InChIKey is ZCQCOYZKJVCTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.H2O/c1-4-9(5-2)7-8-10(11)6-3;/h9,11H,4-8H2,1-3H3;1H2.
What are the key properties of N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate?
N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate has a molecular weight of 177.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-ethylpentyl)hydroxylamine;hydrate is sourced from PubChem (CID 174615959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).