8-methyl-N-oxidononan-1-amine

C10H22NO- — CID 170430879

IUPAC8-methyl-N-oxidononan-1-amine
SMILESCC(C)CCCCCCCN[O-]
InChIInChI=1S/C10H22NO/c1-10(2)8-6-4-3-5-7-9-11-12/h10-11H,3-9H2,1-2H3/q-1
InChIKeySJBZDPWWCDHHHF-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.07
Rot. Bonds8

About 8-methyl-N-oxidononan-1-amine

8-methyl-N-oxidononan-1-amine (PubChem CID 170430879) has the molecular formula C10H22NO- and a molecular weight of 172.29 g/mol. Its IUPAC name is 8-methyl-N-oxidononan-1-amine.

Molecular Properties

Compound Name8-methyl-N-oxidononan-1-amine
PubChem CID170430879
Molecular FormulaC10H22NO-
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name8-methyl-N-oxidononan-1-amine
SMILESCC(C)CCCCCCCN[O-]
InChIInChI=1S/C10H22NO/c1-10(2)8-6-4-3-5-7-9-11-12/h10-11H,3-9H2,1-2H3/q-1
InChIKeySJBZDPWWCDHHHF-UHFFFAOYSA-N
XLogP3.07
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

18-methyl-N-oxidononadec-9-en-1-amine
CID 173000283
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
N,6-dimethylheptan-1-amine;ethane
CID 169159475
N,5-dimethylhexan-1-amine;ethane
CID 142540507
12-methyl-N-(12-methyltridecylamino)oxytridecan-1-amine
CID 88780300
6-methyl-1-(sulfinatoamino)heptane
CID 22376959
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
N-(6-methylheptyl)octadecan-1-amine
CID 162253708

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-oxidononan-1-amine?
The IUPAC name of 8-methyl-N-oxidononan-1-amine (CID 170430879) is 8-methyl-N-oxidononan-1-amine.
What is the SMILES notation for 8-methyl-N-oxidononan-1-amine?
The canonical SMILES for 8-methyl-N-oxidononan-1-amine is CC(C)CCCCCCCN[O-].
What is the InChIKey of 8-methyl-N-oxidononan-1-amine?
The InChIKey is SJBZDPWWCDHHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-10(2)8-6-4-3-5-7-9-11-12/h10-11H,3-9H2,1-2H3/q-1.
What are the key properties of 8-methyl-N-oxidononan-1-amine?
8-methyl-N-oxidononan-1-amine has a molecular weight of 172.29 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-oxidononan-1-amine is sourced from PubChem (CID 170430879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).