N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine

C13H26NO+ — CID 163552916

IUPACN-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine
SMILESC=NC(C)C(C[C@@H](CC)C(C)CC)O[CH2+]
InChIInChI=1S/C13H26NO/c1-7-10(3)12(8-2)9-13(15-6)11(4)14-5/h10-13H,5-9H2,1-4H3/q+1/t10?,11?,12-,13?/m1/s1
InChIKeyHEXPHIVERVOKRY-AYNROABZSA-N
MW212.36 g/mol
LogP3.71
Rot. Bonds8

About N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine

N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine (PubChem CID 163552916) has the molecular formula C13H26NO+ and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine.

Molecular Properties

Compound NameN-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine
PubChem CID163552916
Molecular FormulaC13H26NO+
Molecular Weight212.36 g/mol
Exact Mass212.20
IUPAC NameN-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine
SMILESC=NC(C)C(C[C@@H](CC)C(C)CC)O[CH2+]
InChIInChI=1S/C13H26NO/c1-7-10(3)12(8-2)9-13(15-6)11(4)14-5/h10-13H,5-9H2,1-4H3/q+1/t10?,11?,12-,13?/m1/s1
InChIKeyHEXPHIVERVOKRY-AYNROABZSA-N
XLogP3.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-ethyl-4-methylhexane
CID 59954491
2-(methylideneamino)pentan-3-amine
CID 147607794
3-ethyl-4-methylhexan-1-amine
CID 123538643
2,3-dimethyl-1-(methylideneamino)pentan-1-amine
CID 91477509
5-ethyl-3,6,8-trimethyldecane
CID 173141656
5-ethyl-6-methyloct-1-ene
CID 123326070
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
N-[4-(methylideneamino)pentan-2-yl]methanimine
CID 20761828

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine?
The IUPAC name of N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine (CID 163552916) is N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine.
What is the SMILES notation for N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine?
The canonical SMILES for N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine is C=NC(C)C(C[C@@H](CC)C(C)CC)O[CH2+].
What is the InChIKey of N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine?
The InChIKey is HEXPHIVERVOKRY-AYNROABZSA-N. The full InChI is InChI=1S/C13H26NO/c1-7-10(3)12(8-2)9-13(15-6)11(4)14-5/h10-13H,5-9H2,1-4H3/q+1/t10?,11?,12-,13?/m1/s1.
What are the key properties of N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine?
N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine has a molecular weight of 212.36 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine is sourced from PubChem (CID 163552916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).