2-methyl-N-propan-2-yldecan-1-imine oxide

C14H29NO — CID 170783233

IUPAC2-methyl-N-propan-2-yldecan-1-imine oxide
SMILESCCCCCCCCC(C)/C=[N+](/[O-])C(C)C
InChIInChI=1S/C14H29NO/c1-5-6-7-8-9-10-11-14(4)12-15(16)13(2)3/h12-14H,5-11H2,1-4H3/b15-12+
InChIKeyKBMFTRUYUGSOOM-NTCAYCPXSA-N
MW227.39 g/mol
LogP4.36
Rot. Bonds9

About 2-methyl-N-propan-2-yldecan-1-imine oxide

2-methyl-N-propan-2-yldecan-1-imine oxide (PubChem CID 170783233) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yldecan-1-imine oxide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yldecan-1-imine oxide
PubChem CID170783233
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methyl-N-propan-2-yldecan-1-imine oxide
SMILESCCCCCCCCC(C)/C=[N+](/[O-])C(C)C
InChIInChI=1S/C14H29NO/c1-5-6-7-8-9-10-11-14(4)12-15(16)13(2)3/h12-14H,5-11H2,1-4H3/b15-12+
InChIKeyKBMFTRUYUGSOOM-NTCAYCPXSA-N
XLogP4.36
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methylbut-2-enyl)undecan-1-imine oxide
CID 166527625
2-methyldodecanal
CID 87784106
N-(2-methylundecylidene)hydroxylamine
CID 72729964
2-nitropentadecane
CID 87201105
(E)-4-methylicos-2-ene
CID 166512402
(E)-5-methyldodec-3-ene
CID 173194511
2,4-dimethyldec-2-ene
CID 522542
7-nitrohexadecane
CID 87201115
6-nitrododecane
CID 11095997
9-nitrooctadecane
CID 87201118
triethyl(hexadecan-2-yl)azanium
CID 87135879
triethyl(octan-2-yl)azanium
CID 57165770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yldecan-1-imine oxide?
The IUPAC name of 2-methyl-N-propan-2-yldecan-1-imine oxide (CID 170783233) is 2-methyl-N-propan-2-yldecan-1-imine oxide.
What is the SMILES notation for 2-methyl-N-propan-2-yldecan-1-imine oxide?
The canonical SMILES for 2-methyl-N-propan-2-yldecan-1-imine oxide is CCCCCCCCC(C)/C=[N+](/[O-])C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yldecan-1-imine oxide?
The InChIKey is KBMFTRUYUGSOOM-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-7-8-9-10-11-14(4)12-15(16)13(2)3/h12-14H,5-11H2,1-4H3/b15-12+.
What are the key properties of 2-methyl-N-propan-2-yldecan-1-imine oxide?
2-methyl-N-propan-2-yldecan-1-imine oxide has a molecular weight of 227.39 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yldecan-1-imine oxide is sourced from PubChem (CID 170783233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).