N-methyl-1-[(Z)-oct-2-enoxy]methanamine

C10H21NO — CID 163705593

IUPACN-methyl-1-[(Z)-oct-2-enoxy]methanamine
SMILESCCCCC/C=C\COCNC
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-12-10-11-2/h7-8,11H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyKEUAGXKQASFOCF-FPLPWBNLSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds8

About N-methyl-1-[(Z)-oct-2-enoxy]methanamine

N-methyl-1-[(Z)-oct-2-enoxy]methanamine (PubChem CID 163705593) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-1-[(Z)-oct-2-enoxy]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(Z)-oct-2-enoxy]methanamine
PubChem CID163705593
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-1-[(Z)-oct-2-enoxy]methanamine
SMILESCCCCC/C=C\COCNC
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-12-10-11-2/h7-8,11H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyKEUAGXKQASFOCF-FPLPWBNLSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(Z)-oct-2-enoxy]methanamine?
The IUPAC name of N-methyl-1-[(Z)-oct-2-enoxy]methanamine (CID 163705593) is N-methyl-1-[(Z)-oct-2-enoxy]methanamine.
What is the SMILES notation for N-methyl-1-[(Z)-oct-2-enoxy]methanamine?
The canonical SMILES for N-methyl-1-[(Z)-oct-2-enoxy]methanamine is CCCCC/C=C\COCNC.
What is the InChIKey of N-methyl-1-[(Z)-oct-2-enoxy]methanamine?
The InChIKey is KEUAGXKQASFOCF-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-8-9-12-10-11-2/h7-8,11H,3-6,9-10H2,1-2H3/b8-7-.
What are the key properties of N-methyl-1-[(Z)-oct-2-enoxy]methanamine?
N-methyl-1-[(Z)-oct-2-enoxy]methanamine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(Z)-oct-2-enoxy]methanamine is sourced from PubChem (CID 163705593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).