6-methoxy-3-methylidenehexan-1-amine

C8H17NO — CID 117268174

IUPAC6-methoxy-3-methylidenehexan-1-amine
SMILESC=C(CCN)CCCOC
InChIInChI=1S/C8H17NO/c1-8(5-6-9)4-3-7-10-2/h1,3-7,9H2,2H3
InChIKeyMUNBZLUGINSQLS-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds6

About 6-methoxy-3-methylidenehexan-1-amine

6-methoxy-3-methylidenehexan-1-amine (PubChem CID 117268174) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-methoxy-3-methylidenehexan-1-amine.

Molecular Properties

Compound Name6-methoxy-3-methylidenehexan-1-amine
PubChem CID117268174
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-methoxy-3-methylidenehexan-1-amine
SMILESC=C(CCN)CCCOC
InChIInChI=1S/C8H17NO/c1-8(5-6-9)4-3-7-10-2/h1,3-7,9H2,2H3
InChIKeyMUNBZLUGINSQLS-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methoxyhept-6-en-1-amine
CID 88271141
5-ethyl-3,4-dihydro-2H-pyran-2-amine
CID 91531212
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
1-Methoxy-2,5-dimethylhex-5-en-1-amine
CID 123303711
1-(5-Methylhex-5-enoxy)ethanamine
CID 155085112
13-Methoxy-11-methylidenetridecan-1-amine
CID 156532604
4-Methylidene-6-(2-methylpropoxy)hexan-1-amine
CID 166831456
2-(3,4-dihydro-2H-pyran-5-yl)ethan-1-amine
CID 55254109
4-Methylidene-1-propoxyhexan-2-amine
CID 66038270
1-Methoxy-6-methylideneoctan-4-amine
CID 66038527
1-Methoxy-5-methylideneheptan-3-amine
CID 66038745
1-Methoxy-4-methylidenehexan-2-amine
CID 66039700

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methylidenehexan-1-amine?
The IUPAC name of 6-methoxy-3-methylidenehexan-1-amine (CID 117268174) is 6-methoxy-3-methylidenehexan-1-amine.
What is the SMILES notation for 6-methoxy-3-methylidenehexan-1-amine?
The canonical SMILES for 6-methoxy-3-methylidenehexan-1-amine is C=C(CCN)CCCOC.
What is the InChIKey of 6-methoxy-3-methylidenehexan-1-amine?
The InChIKey is MUNBZLUGINSQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(5-6-9)4-3-7-10-2/h1,3-7,9H2,2H3.
What are the key properties of 6-methoxy-3-methylidenehexan-1-amine?
6-methoxy-3-methylidenehexan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methylidenehexan-1-amine is sourced from PubChem (CID 117268174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).