5-methoxypent-2-enyl-di(propan-2-yl)azanium

C12H26NO+ — CID 4083277

IUPAC5-methoxypent-2-enyl-di(propan-2-yl)azanium
SMILESCOCCC=CC[NH+](C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-11(2)13(12(3)4)9-7-6-8-10-14-5/h6-7,11-12H,8-10H2,1-5H3/p+1
InChIKeyUQJGQYQOMXDBTN-UHFFFAOYSA-O
MW200.35 g/mol
LogP1.28
Rot. Bonds7

About 5-methoxypent-2-enyl-di(propan-2-yl)azanium

5-methoxypent-2-enyl-di(propan-2-yl)azanium (PubChem CID 4083277) has the molecular formula C12H26NO+ and a molecular weight of 200.35 g/mol. Its IUPAC name is 5-methoxypent-2-enyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name5-methoxypent-2-enyl-di(propan-2-yl)azanium
PubChem CID4083277
Molecular FormulaC12H26NO+
Molecular Weight200.35 g/mol
Exact Mass200.20
IUPAC Name5-methoxypent-2-enyl-di(propan-2-yl)azanium
SMILESCOCCC=CC[NH+](C(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-11(2)13(12(3)4)9-7-6-8-10-14-5/h6-7,11-12H,8-10H2,1-5H3/p+1
InChIKeyUQJGQYQOMXDBTN-UHFFFAOYSA-O
XLogP1.28
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
CID 54604560
5-methoxy-N,N-di(propan-2-yl)pent-2-en-1-amine
CID 328745
N-(3-methoxypropyl)but-3-en-2-amine
CID 87585790
(Z)-5-ethoxy-N-methylpent-2-en-1-amine
CID 89469234
(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine
CID 90061159
(Z)-6-methoxy-N-methylhex-3-en-1-amine
CID 117267285
(Z)-N-(1-methoxyethyl)-2-methylhex-3-en-2-amine
CID 163907496
(2R)-1-methoxy-N-propan-2-ylbut-3-en-2-amine
CID 169695667
4-[(Z)-hex-3-enoxy]-N-methylbutan-2-amine
CID 169801914
(2R)-2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
CID 174452405
1-Diisopropylamino-5-methoxy-2-pentene
CID 6005687
N-ethyl-1-methoxy-4-methylpent-3-en-2-amine
CID 79189857

Frequently Asked Questions

What is the IUPAC name of 5-methoxypent-2-enyl-di(propan-2-yl)azanium?
The IUPAC name of 5-methoxypent-2-enyl-di(propan-2-yl)azanium (CID 4083277) is 5-methoxypent-2-enyl-di(propan-2-yl)azanium.
What is the SMILES notation for 5-methoxypent-2-enyl-di(propan-2-yl)azanium?
The canonical SMILES for 5-methoxypent-2-enyl-di(propan-2-yl)azanium is COCCC=CC[NH+](C(C)C)C(C)C.
What is the InChIKey of 5-methoxypent-2-enyl-di(propan-2-yl)azanium?
The InChIKey is UQJGQYQOMXDBTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25NO/c1-11(2)13(12(3)4)9-7-6-8-10-14-5/h6-7,11-12H,8-10H2,1-5H3/p+1.
What are the key properties of 5-methoxypent-2-enyl-di(propan-2-yl)azanium?
5-methoxypent-2-enyl-di(propan-2-yl)azanium has a molecular weight of 200.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypent-2-enyl-di(propan-2-yl)azanium is sourced from PubChem (CID 4083277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).