3-methoxypent-4-en-2-amine

C6H13NO — CID 90962870

IUPAC3-methoxypent-4-en-2-amine
SMILESC=CC(OC)C(C)N
InChIInChI=1S/C6H13NO/c1-4-6(8-3)5(2)7/h4-6H,1,7H2,2-3H3
InChIKeyKKSMGQLHBQPBBK-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.53
Rot. Bonds3

About 3-methoxypent-4-en-2-amine

3-methoxypent-4-en-2-amine (PubChem CID 90962870) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-methoxypent-4-en-2-amine.

Molecular Properties

Compound Name3-methoxypent-4-en-2-amine
PubChem CID90962870
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-methoxypent-4-en-2-amine
SMILESC=CC(OC)C(C)N
InChIInChI=1S/C6H13NO/c1-4-6(8-3)5(2)7/h4-6H,1,7H2,2-3H3
InChIKeyKKSMGQLHBQPBBK-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
(2S)-but-3-en-2-amine
CID 10034575
1-methoxyethanamine
CID 19353429
(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
CID 100988529
formic acid;1-methoxyethanamine
CID 87579928
ethenyl-hydroxy-methoxy-methylphosphanium
CID 155679791
amino-ethenyl-di(propan-2-yl)phosphanium
CID 139466697
(2S,3R,4S)-2,3,4-trimethoxyhex-5-enal
CID 14374465
(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025
methanamine;3-methylbut-1-ene
CID 161011072
[(1R)-1-methoxyprop-2-enyl]phosphane
CID 173465433
(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide
CID 130367429

Frequently Asked Questions

What is the IUPAC name of 3-methoxypent-4-en-2-amine?
The IUPAC name of 3-methoxypent-4-en-2-amine (CID 90962870) is 3-methoxypent-4-en-2-amine.
What is the SMILES notation for 3-methoxypent-4-en-2-amine?
The canonical SMILES for 3-methoxypent-4-en-2-amine is C=CC(OC)C(C)N.
What is the InChIKey of 3-methoxypent-4-en-2-amine?
The InChIKey is KKSMGQLHBQPBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(8-3)5(2)7/h4-6H,1,7H2,2-3H3.
What are the key properties of 3-methoxypent-4-en-2-amine?
3-methoxypent-4-en-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypent-4-en-2-amine is sourced from PubChem (CID 90962870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).