N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine

C11H21NO — CID 123544664

IUPACN-(methoxymethyl)-2-methylocta-4,6-dien-1-amine
SMILESCC=CC=CCC(C)CNCOC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-11(2)9-12-10-13-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyQLJAOLVKFBIREJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds7

About N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine

N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine (PubChem CID 123544664) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methylocta-4,6-dien-1-amine
PubChem CID123544664
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(methoxymethyl)-2-methylocta-4,6-dien-1-amine
SMILESCC=CC=CCC(C)CNCOC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-11(2)9-12-10-13-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyQLJAOLVKFBIREJ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 12109886
(3Z,5Z)-6-fluoro-5-(fluoromethyl)-N-(methoxymethyl)-7-methylocta-3,5-dien-1-amine
CID 132162620
(3Z,5E)-2-ethyl-5-fluoro-N-methylhepta-3,5-dien-1-amine
CID 143448537
1-cyclohexa-2,4-dien-1-yl-N-methylmethanamine
CID 58247709
(Z)-N,3-dimethylhex-4-en-1-amine
CID 90448484
(Z)-N,2-dimethylhex-4-en-1-amine
CID 118136657
N,2,3-trimethylhexa-3,5-dien-1-amine
CID 123144416
N,7-dimethyloct-4-en-1-amine
CID 123464911
N,3-dimethylhept-4-en-1-amine
CID 123476227
2-ethyl-N-methylpent-3-en-1-amine
CID 123617641
N,2-dimethylhepta-4,6-dien-1-amine
CID 123781215
N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 123897730

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine?
The IUPAC name of N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine (CID 123544664) is N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine.
What is the SMILES notation for N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine?
The canonical SMILES for N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine is CC=CC=CCC(C)CNCOC.
What is the InChIKey of N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine?
The InChIKey is QLJAOLVKFBIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-8-11(2)9-12-10-13-3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine?
N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methylocta-4,6-dien-1-amine is sourced from PubChem (CID 123544664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).