N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine

C10H22NO2- — CID 163968768

IUPACN-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
SMILESCC(C)CC(CC(C)C)ON(C)[O-]
InChIInChI=1S/C10H22NO2/c1-8(2)6-10(7-9(3)4)13-11(5)12/h8-10H,6-7H2,1-5H3/q-1
InChIKeyXLQSGQRLPNFQHB-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.81
Rot. Bonds6

About N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine

N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine (PubChem CID 163968768) has the molecular formula C10H22NO2- and a molecular weight of 188.29 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
PubChem CID163968768
Molecular FormulaC10H22NO2-
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC NameN-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
SMILESCC(C)CC(CC(C)C)ON(C)[O-]
InChIInChI=1S/C10H22NO2/c1-8(2)6-10(7-9(3)4)13-11(5)12/h8-10H,6-7H2,1-5H3/q-1
InChIKeyXLQSGQRLPNFQHB-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
tris(2,6-dimethylheptan-4-yloxy)silane
CID 175859767
CID 167440331
CID 167440331
2,4-dimethylpentane
CID 157050020
4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine
CID 151635571
bis(2,6-dimethylheptan-4-yl) propanedioate
CID 174999173
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
magnesium 2,6-dimethylheptan-4-yl phosphate
CID 172766773
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
2,6-dimethylheptan-4-yl hydrogen phosphate
CID 21117595
2,4-dimethylpentane;methane
CID 159476318

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine?
The IUPAC name of N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine (CID 163968768) is N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine?
The canonical SMILES for N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine is CC(C)CC(CC(C)C)ON(C)[O-].
What is the InChIKey of N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine?
The InChIKey is XLQSGQRLPNFQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2/c1-8(2)6-10(7-9(3)4)13-11(5)12/h8-10H,6-7H2,1-5H3/q-1.
What are the key properties of N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine?
N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine has a molecular weight of 188.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine is sourced from PubChem (CID 163968768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).