4-methoxypent-4-en-2-amine

C6H13NO — CID 123621795

IUPAC4-methoxypent-4-en-2-amine
SMILESC=C(CC(C)N)OC
InChIInChI=1S/C6H13NO/c1-5(7)4-6(2)8-3/h5H,2,4,7H2,1,3H3
InChIKeyVJVQOFHHUFEQSN-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.88
Rot. Bonds3

About 4-methoxypent-4-en-2-amine

4-methoxypent-4-en-2-amine (PubChem CID 123621795) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-methoxypent-4-en-2-amine.

Molecular Properties

Compound Name4-methoxypent-4-en-2-amine
PubChem CID123621795
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-methoxypent-4-en-2-amine
SMILESC=C(CC(C)N)OC
InChIInChI=1S/C6H13NO/c1-5(7)4-6(2)8-3/h5H,2,4,7H2,1,3H3
InChIKeyVJVQOFHHUFEQSN-UHFFFAOYSA-N
XLogP0.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-5-methoxyhexa-1,5-dien-3-amine
CID 134447268
3-Methoxybut-3-en-1-amine
CID 89264894
4-Methoxypent-4-en-1-amine
CID 89344047
4-Propoxypent-4-en-2-amine
CID 117626742
4-Butan-2-yloxypent-4-en-2-amine
CID 126663228
(3R)-5-methoxypent-1-en-3-amine
CID 137495270
4-Prop-1-en-2-yloxybutan-2-amine
CID 138563169
3-Methoxypenta-3,4-dien-1-amine
CID 139950067
Ethane;4-propoxypent-4-en-2-amine
CID 144489508
(2R)-4-methoxypent-4-en-2-amine
CID 144958528
4-Methoxypent-4-ene-2,3-diamine
CID 163818178
5-Methoxy-2-methylhexa-1,5-dien-3-amine
CID 166855659

Frequently Asked Questions

What is the IUPAC name of 4-methoxypent-4-en-2-amine?
The IUPAC name of 4-methoxypent-4-en-2-amine (CID 123621795) is 4-methoxypent-4-en-2-amine.
What is the SMILES notation for 4-methoxypent-4-en-2-amine?
The canonical SMILES for 4-methoxypent-4-en-2-amine is C=C(CC(C)N)OC.
What is the InChIKey of 4-methoxypent-4-en-2-amine?
The InChIKey is VJVQOFHHUFEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7)4-6(2)8-3/h5H,2,4,7H2,1,3H3.
What are the key properties of 4-methoxypent-4-en-2-amine?
4-methoxypent-4-en-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypent-4-en-2-amine is sourced from PubChem (CID 123621795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).