N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine

C10H19NO — CID 163429217

IUPACN-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine
SMILESC=C(/C=C\C)OCCNC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(4)12-8-7-11-9(2)3/h5-6,9,11H,4,7-8H2,1-3H3/b6-5-
InChIKeyAPAWLEXNSIXNPC-WAYWQWQTSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds6

About N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine

N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine (PubChem CID 163429217) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine
PubChem CID163429217
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine
SMILESC=C(/C=C\C)OCCNC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-10(4)12-8-7-11-9(2)3/h5-6,9,11H,4,7-8H2,1-3H3/b6-5-
InChIKeyAPAWLEXNSIXNPC-WAYWQWQTSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
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

N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine
CID 139410521
2-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]oxy-N-methylethanamine
CID 178011507
2-buta-1,3-dien-2-yloxy-N-(2-buta-1,3-dien-2-yloxyethyl)ethanamine
CID 57764963
N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine
CID 58451736
(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-1,4-oxazocine
CID 68318444
2-but-2-enoxy-N-ethylethanamine
CID 76940140
N-ethyl-2-[(E)-4-methoxybut-2-enoxy]ethanamine
CID 88906931
N-[(6-methylidenepyran-2-yl)methyl]ethanamine
CID 129313632
(2S)-N-methyl-1-[(2E)-2-methylocta-2,4,5,7-tetraenoxy]propan-2-amine
CID 130374195
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
N-propan-2-yl-N'-[(3E,5Z)-2-prop-2-enoxyhepta-1,3,5-trien-3-yl]propane-1,3-diamine
CID 137483900
N-[2-[(Z)-4-ethoxybut-2-enoxy]ethyl]-2-methylpropan-2-amine
CID 139356789

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine (CID 163429217) is N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine is C=C(/C=C\C)OCCNC(C)C.
What is the InChIKey of N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine?
The InChIKey is APAWLEXNSIXNPC-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-10(4)12-8-7-11-9(2)3/h5-6,9,11H,4,7-8H2,1-3H3/b6-5-.
What are the key properties of N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine?
N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]propan-2-amine is sourced from PubChem (CID 163429217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).