N-(6-aminohexyl)hydroxylamine;hexanedioic acid

C12H26N2O5 — CID 160744161

IUPACN-(6-aminohexyl)hydroxylamine;hexanedioic acid
SMILESNCCCCCCNO.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H16N2O.C6H10O4/c7-5-3-1-2-4-6-8-9;7-5(8)3-1-2-4-6(9)10/h8-9H,1-7H2;1-4H2,(H,7,8)(H,9,10)
InChIKeyRVZAPFMAYCBHFA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.20
Rot. Bonds11

About N-(6-aminohexyl)hydroxylamine;hexanedioic acid

N-(6-aminohexyl)hydroxylamine;hexanedioic acid (PubChem CID 160744161) has the molecular formula C12H26N2O5 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(6-aminohexyl)hydroxylamine;hexanedioic acid.

Molecular Properties

Compound NameN-(6-aminohexyl)hydroxylamine;hexanedioic acid
PubChem CID160744161
Molecular FormulaC12H26N2O5
Molecular Weight278.35 g/mol
Exact Mass278.18
IUPAC NameN-(6-aminohexyl)hydroxylamine;hexanedioic acid
SMILESNCCCCCCNO.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H16N2O.C6H10O4/c7-5-3-1-2-4-6-8-9;7-5(8)3-1-2-4-6(9)10/h8-9H,1-7H2;1-4H2,(H,7,8)(H,9,10)
InChIKeyRVZAPFMAYCBHFA-UHFFFAOYSA-N
XLogP1.20
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
4-[23-(hydroxyamino)tricosylamino]butanoic acid
CID 141334650

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)hydroxylamine;hexanedioic acid?
The IUPAC name of N-(6-aminohexyl)hydroxylamine;hexanedioic acid (CID 160744161) is N-(6-aminohexyl)hydroxylamine;hexanedioic acid.
What is the SMILES notation for N-(6-aminohexyl)hydroxylamine;hexanedioic acid?
The canonical SMILES for N-(6-aminohexyl)hydroxylamine;hexanedioic acid is NCCCCCCNO.O=C(O)CCCCC(=O)O.
What is the InChIKey of N-(6-aminohexyl)hydroxylamine;hexanedioic acid?
The InChIKey is RVZAPFMAYCBHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.C6H10O4/c7-5-3-1-2-4-6-8-9;7-5(8)3-1-2-4-6(9)10/h8-9H,1-7H2;1-4H2,(H,7,8)(H,9,10).
What are the key properties of N-(6-aminohexyl)hydroxylamine;hexanedioic acid?
N-(6-aminohexyl)hydroxylamine;hexanedioic acid has a molecular weight of 278.35 g/mol, XLogP of 1.20, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)hydroxylamine;hexanedioic acid is sourced from PubChem (CID 160744161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).