N-(2,6-dimethylheptan-2-yl)hydroxylamine

C9H21NO — CID 138599633

IUPACN-(2,6-dimethylheptan-2-yl)hydroxylamine
SMILESCC(C)CCCC(C)(C)NO
InChIInChI=1S/C9H21NO/c1-8(2)6-5-7-9(3,4)10-11/h8,10-11H,5-7H2,1-4H3
InChIKeyQSKXAILIIAOFAP-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.57
Rot. Bonds5

About N-(2,6-dimethylheptan-2-yl)hydroxylamine

N-(2,6-dimethylheptan-2-yl)hydroxylamine (PubChem CID 138599633) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-2-yl)hydroxylamine
PubChem CID138599633
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(2,6-dimethylheptan-2-yl)hydroxylamine
SMILESCC(C)CCCC(C)(C)NO
InChIInChI=1S/C9H21NO/c1-8(2)6-5-7-9(3,4)10-11/h8,10-11H,5-7H2,1-4H3
InChIKeyQSKXAILIIAOFAP-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,6-difluoro-2,10-dimethylundecane
CID 169289858
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168
methyl 2-(aminomethyl)-2,6-dimethylheptanoate
CID 106487907
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
2,2-difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563
3,3,7-trimethyloctan-2-one
CID 88712465
2,6,6,10-tetramethylundecane-5,5-diol
CID 141261588
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
6,6-dibutyl-2-methyldecane
CID 150480915
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
2,5,8-trimethylnonan-5-ol
CID 58574498

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-2-yl)hydroxylamine?
The IUPAC name of N-(2,6-dimethylheptan-2-yl)hydroxylamine (CID 138599633) is N-(2,6-dimethylheptan-2-yl)hydroxylamine.
What is the SMILES notation for N-(2,6-dimethylheptan-2-yl)hydroxylamine?
The canonical SMILES for N-(2,6-dimethylheptan-2-yl)hydroxylamine is CC(C)CCCC(C)(C)NO.
What is the InChIKey of N-(2,6-dimethylheptan-2-yl)hydroxylamine?
The InChIKey is QSKXAILIIAOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)6-5-7-9(3,4)10-11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-(2,6-dimethylheptan-2-yl)hydroxylamine?
N-(2,6-dimethylheptan-2-yl)hydroxylamine has a molecular weight of 159.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-2-yl)hydroxylamine is sourced from PubChem (CID 138599633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).