N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine

C11H21NO — CID 123924894

IUPACN-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine
SMILESCC=CC=C(C)OCCNCCC
InChIInChI=1S/C11H21NO/c1-4-6-7-11(3)13-10-9-12-8-5-2/h4,6-7,12H,5,8-10H2,1-3H3
InChIKeyKCOOGZAOWWWWSJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds7

About N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine

N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine (PubChem CID 123924894) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine
PubChem CID123924894
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine
SMILESCC=CC=C(C)OCCNCCC
InChIInChI=1S/C11H21NO/c1-4-6-7-11(3)13-10-9-12-8-5-2/h4,6-7,12H,5,8-10H2,1-3H3
InChIKeyKCOOGZAOWWWWSJ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine
CID 137438950
2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]-N-methylethanamine
CID 178010057
N-[2-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]oxyethyl]propan-1-amine
CID 143503054
N-[2-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]oxyethyl]prop-2-en-1-amine
CID 145018088
N-ethyl-N-methyl-2-[(2E)-penta-2,4-dien-2-yl]oxyethanamine
CID 88929526
N-methyl-2-penta-2,4-dien-2-yloxyethanamine
CID 123747746
3-(2,7-dihydro-1H-azepin-3-yloxy)-N,N-dimethylpropan-1-amine
CID 132127977
(2Z,4E)-5-[1-(propylamino)propan-2-yloxy]hexa-2,4-dien-2-amine
CID 134406227
N-[[(5Z,7Z)-1-oxacycloocta-5,7-dien-3-yn-2-yl]methyl]propan-1-amine
CID 139471588
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-1,4-oxazine
CID 139544144
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine;molecular hydrogen
CID 143143857
2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 143143858

Frequently Asked Questions

What is the IUPAC name of N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine?
The IUPAC name of N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine (CID 123924894) is N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine?
The canonical SMILES for N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine is CC=CC=C(C)OCCNCCC.
What is the InChIKey of N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine?
The InChIKey is KCOOGZAOWWWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-7-11(3)13-10-9-12-8-5-2/h4,6-7,12H,5,8-10H2,1-3H3.
What are the key properties of N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine?
N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 123924894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).