N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine

C9H20N2O — CID 90840916

IUPACN-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine
SMILES[H]/N=C/C(NO)C(C)(CC)CCC
InChIInChI=1S/C9H20N2O/c1-4-6-9(3,5-2)8(7-10)11-12/h7-8,10-12H,4-6H2,1-3H3/b10-7+
InChIKeyHTWMGJLEXUZLDJ-JXMROGBWSA-N
MW172.27 g/mol
LogP2.20
Rot. Bonds6

About N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine

N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine (PubChem CID 90840916) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine
PubChem CID90840916
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine
SMILES[H]/N=C/C(NO)C(C)(CC)CCC
InChIInChI=1S/C9H20N2O/c1-4-6-9(3,5-2)8(7-10)11-12/h7-8,10-12H,4-6H2,1-3H3/b10-7+
InChIKeyHTWMGJLEXUZLDJ-JXMROGBWSA-N
XLogP2.20
TPSA56.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine?
The IUPAC name of N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine (CID 90840916) is N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine.
What is the SMILES notation for N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine?
The canonical SMILES for N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine is [H]/N=C/C(NO)C(C)(CC)CCC.
What is the InChIKey of N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine?
The InChIKey is HTWMGJLEXUZLDJ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-6-9(3,5-2)8(7-10)11-12/h7-8,10-12H,4-6H2,1-3H3/b10-7+.
What are the key properties of N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine?
N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine has a molecular weight of 172.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-imino-3-methylhexan-2-yl)hydroxylamine is sourced from PubChem (CID 90840916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).