4-(methoxymethyl)non-4-en-8-yn-1-amine

C11H19NO — CID 103392158

IUPAC4-(methoxymethyl)non-4-en-8-yn-1-amine
SMILESC#CCCC=C(CCCN)COC
InChIInChI=1S/C11H19NO/c1-3-4-5-7-11(10-13-2)8-6-9-12/h1,7H,4-6,8-10,12H2,2H3
InChIKeyYUDOVCOIRIVERG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.71
Rot. Bonds7

About 4-(methoxymethyl)non-4-en-8-yn-1-amine

4-(methoxymethyl)non-4-en-8-yn-1-amine (PubChem CID 103392158) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(methoxymethyl)non-4-en-8-yn-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)non-4-en-8-yn-1-amine
PubChem CID103392158
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(methoxymethyl)non-4-en-8-yn-1-amine
SMILESC#CCCC=C(CCCN)COC
InChIInChI=1S/C11H19NO/c1-3-4-5-7-11(10-13-2)8-6-9-12/h1,7H,4-6,8-10,12H2,2H3
InChIKeyYUDOVCOIRIVERG-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(methoxymethyl)nona-4,8-dien-1-amine
CID 103392193
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
4-(methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine
CID 103392141
4-(3-aminopropyl)oct-4-ene-1,8-diamine
CID 20545797
(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392108
1-aminonon-8-yn-4-one
CID 116553278
(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
CID 103392227
5-(5,5-dimethyloxolan-2-yl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392229
(3Z)-3-tridecylidenehexane-1,6-diamine
CID 143379143
(E)-3-methyloct-3-en-7-yn-1-ol
CID 11457729
4-amino-N-prop-2-ynylbutanamide
CID 24695167

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)non-4-en-8-yn-1-amine?
The IUPAC name of 4-(methoxymethyl)non-4-en-8-yn-1-amine (CID 103392158) is 4-(methoxymethyl)non-4-en-8-yn-1-amine.
What is the SMILES notation for 4-(methoxymethyl)non-4-en-8-yn-1-amine?
The canonical SMILES for 4-(methoxymethyl)non-4-en-8-yn-1-amine is C#CCCC=C(CCCN)COC.
What is the InChIKey of 4-(methoxymethyl)non-4-en-8-yn-1-amine?
The InChIKey is YUDOVCOIRIVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-7-11(10-13-2)8-6-9-12/h1,7H,4-6,8-10,12H2,2H3.
What are the key properties of 4-(methoxymethyl)non-4-en-8-yn-1-amine?
4-(methoxymethyl)non-4-en-8-yn-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)non-4-en-8-yn-1-amine is sourced from PubChem (CID 103392158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).