N-(5,5-dimethylheptyl)hydroxylamine

C9H21NO — CID 143799297

IUPACN-(5,5-dimethylheptyl)hydroxylamine
SMILESCCC(C)(C)CCCCNO
InChIInChI=1S/C9H21NO/c1-4-9(2,3)7-5-6-8-10-11/h10-11H,4-8H2,1-3H3
InChIKeyKIIVUMYUDIPIIV-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.57
Rot. Bonds6

About N-(5,5-dimethylheptyl)hydroxylamine

N-(5,5-dimethylheptyl)hydroxylamine (PubChem CID 143799297) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(5,5-dimethylheptyl)hydroxylamine.

Molecular Properties

Compound NameN-(5,5-dimethylheptyl)hydroxylamine
PubChem CID143799297
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(5,5-dimethylheptyl)hydroxylamine
SMILESCCC(C)(C)CCCCNO
InChIInChI=1S/C9H21NO/c1-4-9(2,3)7-5-6-8-10-11/h10-11H,4-8H2,1-3H3
InChIKeyKIIVUMYUDIPIIV-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3,3,9,9-tetramethylundecane
CID 20661116
3,3,19,19-tetramethylhenicosane
CID 123780647
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethyloctane;ethane
CID 145013248
N-(4,4-dimethylpentyl)-4,4-dimethylhexan-1-amine
CID 138739641
N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine
CID 154936879
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
N-dodecyl-4,4-dimethylhexanamide
CID 88894406
N,8,8-trimethyldecanamide
CID 89097634
ethane;N-hexylhydroxylamine
CID 23139656
6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
CID 11572614

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylheptyl)hydroxylamine?
The IUPAC name of N-(5,5-dimethylheptyl)hydroxylamine (CID 143799297) is N-(5,5-dimethylheptyl)hydroxylamine.
What is the SMILES notation for N-(5,5-dimethylheptyl)hydroxylamine?
The canonical SMILES for N-(5,5-dimethylheptyl)hydroxylamine is CCC(C)(C)CCCCNO.
What is the InChIKey of N-(5,5-dimethylheptyl)hydroxylamine?
The InChIKey is KIIVUMYUDIPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(2,3)7-5-6-8-10-11/h10-11H,4-8H2,1-3H3.
What are the key properties of N-(5,5-dimethylheptyl)hydroxylamine?
N-(5,5-dimethylheptyl)hydroxylamine has a molecular weight of 159.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylheptyl)hydroxylamine is sourced from PubChem (CID 143799297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).