(Z)-1-methoxypent-2-en-1-amine

C6H13NO — CID 163789221

IUPAC(Z)-1-methoxypent-2-en-1-amine
SMILESCC/C=C\C(N)OC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(7)8-2/h4-6H,3,7H2,1-2H3/b5-4-
InChIKeyMVFSZHGWMQBDHU-PLNGDYQASA-N
MW115.18 g/mol
LogP0.88
Rot. Bonds3

About (Z)-1-methoxypent-2-en-1-amine

(Z)-1-methoxypent-2-en-1-amine (PubChem CID 163789221) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (Z)-1-methoxypent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-1-methoxypent-2-en-1-amine
PubChem CID163789221
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(Z)-1-methoxypent-2-en-1-amine
SMILESCC/C=C\C(N)OC
InChIInChI=1S/C6H13NO/c1-3-4-5-6(7)8-2/h4-6H,3,7H2,1-2H3/b5-4-
InChIKeyMVFSZHGWMQBDHU-PLNGDYQASA-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxybut-2-en-1-amine
CID 21966624
(E)-5-ethoxy-1-fluoropent-3-en-2-amine
CID 20466260
1-Fluoro-2-amino-5-ethoxy-3-pentene
CID 54052969
CID 53635139
CID 53635139
3,6-dihydro-2H-pyran-2-amine
CID 53649462
4-Ethoxybut-2-en-1-amine
CID 54355869
(E)-4-ethoxybut-2-en-1-amine
CID 57436605
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
CID 76224541
CID 76224541
(Z,2R)-5-butoxypent-3-en-2-amine
CID 117828191
N-(pent-2-enoxymethyl)ethanamine
CID 122608179
(E,2R)-5-ethoxypent-3-en-2-amine
CID 129160654

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxypent-2-en-1-amine?
The IUPAC name of (Z)-1-methoxypent-2-en-1-amine (CID 163789221) is (Z)-1-methoxypent-2-en-1-amine.
What is the SMILES notation for (Z)-1-methoxypent-2-en-1-amine?
The canonical SMILES for (Z)-1-methoxypent-2-en-1-amine is CC/C=C\C(N)OC.
What is the InChIKey of (Z)-1-methoxypent-2-en-1-amine?
The InChIKey is MVFSZHGWMQBDHU-PLNGDYQASA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-6(7)8-2/h4-6H,3,7H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-methoxypent-2-en-1-amine?
(Z)-1-methoxypent-2-en-1-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 (Z)-1-methoxypent-2-en-1-amine is sourced from PubChem (CID 163789221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).