N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine

C9H20N2O — CID 163601003

IUPACN-[1-(diethylamino)pentan-2-ylidene]hydroxylamine
SMILESCCCC(CN(CC)CC)=NO
InChIInChI=1S/C9H20N2O/c1-4-7-9(10-12)8-11(5-2)6-3/h12H,4-8H2,1-3H3
InChIKeyGXPZSATUBLVISC-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds6

About N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine

N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine (PubChem CID 163601003) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(diethylamino)pentan-2-ylidene]hydroxylamine
PubChem CID163601003
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[1-(diethylamino)pentan-2-ylidene]hydroxylamine
SMILESCCCC(CN(CC)CC)=NO
InChIInChI=1S/C9H20N2O/c1-4-7-9(10-12)8-11(5-2)6-3/h12H,4-8H2,1-3H3
InChIKeyGXPZSATUBLVISC-UHFFFAOYSA-N
XLogP1.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine
CID 88790874
N-ethyl-3-methylidene-N-propylhexan-1-amine
CID 167115733
2-(diethylamino)ethaneperoxoic acid
CID 57104858
2-(diethylaminomethyl)prop-2-ene-1-thiol
CID 103073208
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
N,N-diethylethanamine;ethane
CID 22114990
N-(1-phenylpentan-2-ylidene)hydroxylamine
CID 131860547
2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 76929176

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine (CID 163601003) is N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine is CCCC(CN(CC)CC)=NO.
What is the InChIKey of N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine?
The InChIKey is GXPZSATUBLVISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7-9(10-12)8-11(5-2)6-3/h12H,4-8H2,1-3H3.
What are the key properties of N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine?
N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine has a molecular weight of 172.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)pentan-2-ylidene]hydroxylamine is sourced from PubChem (CID 163601003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).