N-methyl-2-penta-2,4-dien-2-yloxyethanamine

C8H15NO — CID 123747746

IUPACN-methyl-2-penta-2,4-dien-2-yloxyethanamine
SMILESC=CC=C(C)OCCNC
InChIInChI=1S/C8H15NO/c1-4-5-8(2)10-7-6-9-3/h4-5,9H,1,6-7H2,2-3H3
InChIKeyWTWRWLMGMLZGAP-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds5

About N-methyl-2-penta-2,4-dien-2-yloxyethanamine

N-methyl-2-penta-2,4-dien-2-yloxyethanamine (PubChem CID 123747746) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-penta-2,4-dien-2-yloxyethanamine.

Molecular Properties

Compound NameN-methyl-2-penta-2,4-dien-2-yloxyethanamine
PubChem CID123747746
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-2-penta-2,4-dien-2-yloxyethanamine
SMILESC=CC=C(C)OCCNC
InChIInChI=1S/C8H15NO/c1-4-5-8(2)10-7-6-9-3/h4-5,9H,1,6-7H2,2-3H3
InChIKeyWTWRWLMGMLZGAP-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]-N-methylethanamine
CID 178010057
2-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 178011507
2-cyclohexa-1,3-dien-1-yloxy-N-methylethanamine
CID 17920106
2-buta-1,3-dien-2-yloxy-N-methylethanamine
CID 21937394
N-methyl-2-prop-1-enoxyethanamine
CID 123465883
N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine
CID 123924894
(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine
CID 126703032
N-methyl-1-[(1E,3Z)-penta-1,3-dienoxy]ethanamine
CID 130254325
2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
CID 134199319
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
CID 139544144
(2Z)-2-methoxy-N-methylpenta-2,4-dien-1-amine
CID 142022460
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine;molecular hydrogen
CID 143143857

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-penta-2,4-dien-2-yloxyethanamine?
The IUPAC name of N-methyl-2-penta-2,4-dien-2-yloxyethanamine (CID 123747746) is N-methyl-2-penta-2,4-dien-2-yloxyethanamine.
What is the SMILES notation for N-methyl-2-penta-2,4-dien-2-yloxyethanamine?
The canonical SMILES for N-methyl-2-penta-2,4-dien-2-yloxyethanamine is C=CC=C(C)OCCNC.
What is the InChIKey of N-methyl-2-penta-2,4-dien-2-yloxyethanamine?
The InChIKey is WTWRWLMGMLZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(2)10-7-6-9-3/h4-5,9H,1,6-7H2,2-3H3.
What are the key properties of N-methyl-2-penta-2,4-dien-2-yloxyethanamine?
N-methyl-2-penta-2,4-dien-2-yloxyethanamine has a molecular weight of 141.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-penta-2,4-dien-2-yloxyethanamine is sourced from PubChem (CID 123747746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).