O-(1-aminoheptyl)hydroxylamine

C7H18N2O — CID 89080647

IUPACO-(1-aminoheptyl)hydroxylamine
SMILESCCCCCCC(N)ON
InChIInChI=1S/C7H18N2O/c1-2-3-4-5-6-7(8)10-9/h7H,2-6,8-9H2,1H3
InChIKeyDJKCWBCHPGPLFU-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.13
Rot. Bonds6

About O-(1-aminoheptyl)hydroxylamine

O-(1-aminoheptyl)hydroxylamine (PubChem CID 89080647) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is O-(1-aminoheptyl)hydroxylamine.

Molecular Properties

Compound NameO-(1-aminoheptyl)hydroxylamine
PubChem CID89080647
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC NameO-(1-aminoheptyl)hydroxylamine
SMILESCCCCCCC(N)ON
InChIInChI=1S/C7H18N2O/c1-2-3-4-5-6-7(8)10-9/h7H,2-6,8-9H2,1H3
InChIKeyDJKCWBCHPGPLFU-UHFFFAOYSA-N
XLogP1.13
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
tris(1-aminohexyl) phosphite
CID 87256127
O-hexadecan-2-ylhydroxylamine
CID 18799052
1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
bis(1-aminodecyl) oxalate
CID 174693733
1-aminooctyl formate
CID 174824755
tritriacontane-16,17-diamine
CID 57106039
henicosane-8,14-diamine;dihydrochloride
CID 170909168
hexadecane-6,7-diamine
CID 57245820
hexacosane-1,1-diamine
CID 137375175

Frequently Asked Questions

What is the IUPAC name of O-(1-aminoheptyl)hydroxylamine?
The IUPAC name of O-(1-aminoheptyl)hydroxylamine (CID 89080647) is O-(1-aminoheptyl)hydroxylamine.
What is the SMILES notation for O-(1-aminoheptyl)hydroxylamine?
The canonical SMILES for O-(1-aminoheptyl)hydroxylamine is CCCCCCC(N)ON.
What is the InChIKey of O-(1-aminoheptyl)hydroxylamine?
The InChIKey is DJKCWBCHPGPLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-3-4-5-6-7(8)10-9/h7H,2-6,8-9H2,1H3.
What are the key properties of O-(1-aminoheptyl)hydroxylamine?
O-(1-aminoheptyl)hydroxylamine has a molecular weight of 146.23 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-aminoheptyl)hydroxylamine is sourced from PubChem (CID 89080647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).