4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine

C11H21NO — CID 103392211

IUPAC4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine
SMILESC=C(C)CC=C(CCCN)COC
InChIInChI=1S/C11H21NO/c1-10(2)6-7-11(9-13-3)5-4-8-12/h7H,1,4-6,8-9,12H2,2-3H3
InChIKeyKLAZEZMEMUCYMZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.26
Rot. Bonds7

About 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine

4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine (PubChem CID 103392211) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine
PubChem CID103392211
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine
SMILESC=C(C)CC=C(CCCN)COC
InChIInChI=1S/C11H21NO/c1-10(2)6-7-11(9-13-3)5-4-8-12/h7H,1,4-6,8-9,12H2,2-3H3
InChIKeyKLAZEZMEMUCYMZ-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
3-(3,7-Dimethylocta-2,6-dienoxy)propan-1-amine
CID 154376410
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738
(E)-4-(methoxymethyl)hex-3-en-1-amine
CID 64395994
2-(3,6-dihydro-2H-pyran-4-yl)ethan-1-amine
CID 71757141
4-(Methoxymethyl)hex-3-en-1-amine
CID 77037489
3-(Propoxymethyl)cyclopent-2-en-1-amine
CID 79569410
4-Cyclopropyl-5-methoxypent-3-en-1-amine
CID 80410631

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine?
The IUPAC name of 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine (CID 103392211) is 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine?
The canonical SMILES for 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine is C=C(C)CC=C(CCCN)COC.
What is the InChIKey of 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine?
The InChIKey is KLAZEZMEMUCYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)6-7-11(9-13-3)5-4-8-12/h7H,1,4-6,8-9,12H2,2-3H3.
What are the key properties of 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine?
4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-7-methylocta-4,7-dien-1-amine is sourced from PubChem (CID 103392211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).