4-methyl-1-propoxypent-3-en-2-amine

C9H19NO — CID 79190413

IUPAC4-methyl-1-propoxypent-3-en-2-amine
SMILESCCCOCC(N)C=C(C)C
InChIInChI=1S/C9H19NO/c1-4-5-11-7-9(10)6-8(2)3/h6,9H,4-5,7,10H2,1-3H3
InChIKeyMKWNGKXQPDAKGQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds5

About 4-methyl-1-propoxypent-3-en-2-amine

4-methyl-1-propoxypent-3-en-2-amine (PubChem CID 79190413) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-1-propoxypent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-propoxypent-3-en-2-amine
PubChem CID79190413
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-1-propoxypent-3-en-2-amine
SMILESCCCOCC(N)C=C(C)C
InChIInChI=1S/C9H19NO/c1-4-5-11-7-9(10)6-8(2)3/h6,9H,4-5,7,10H2,1-3H3
InChIKeyMKWNGKXQPDAKGQ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propoxypent-3-en-2-amine?
The IUPAC name of 4-methyl-1-propoxypent-3-en-2-amine (CID 79190413) is 4-methyl-1-propoxypent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-propoxypent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-propoxypent-3-en-2-amine is CCCOCC(N)C=C(C)C.
What is the InChIKey of 4-methyl-1-propoxypent-3-en-2-amine?
The InChIKey is MKWNGKXQPDAKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-11-7-9(10)6-8(2)3/h6,9H,4-5,7,10H2,1-3H3.
What are the key properties of 4-methyl-1-propoxypent-3-en-2-amine?
4-methyl-1-propoxypent-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propoxypent-3-en-2-amine is sourced from PubChem (CID 79190413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).