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

C9H19NO — CID 79177385

IUPAC4-methyl-1-propoxypent-4-en-2-amine
SMILESC=C(C)CC(N)COCCC
InChIInChI=1S/C9H19NO/c1-4-5-11-7-9(10)6-8(2)3/h9H,2,4-7,10H2,1,3H3
InChIKeyGYGBYXDJUFPLPP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds6

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

4-methyl-1-propoxypent-4-en-2-amine (PubChem CID 79177385) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-1-propoxypent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-propoxypent-4-en-2-amine
PubChem CID79177385
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-1-propoxypent-4-en-2-amine
SMILESC=C(C)CC(N)COCCC
InChIInChI=1S/C9H19NO/c1-4-5-11-7-9(10)6-8(2)3/h9H,2,4-7,10H2,1,3H3
InChIKeyGYGBYXDJUFPLPP-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-4-en-2-amine?
The IUPAC name of 4-methyl-1-propoxypent-4-en-2-amine (CID 79177385) is 4-methyl-1-propoxypent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-propoxypent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-propoxypent-4-en-2-amine is C=C(C)CC(N)COCCC.
What is the InChIKey of 4-methyl-1-propoxypent-4-en-2-amine?
The InChIKey is GYGBYXDJUFPLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-11-7-9(10)6-8(2)3/h9H,2,4-7,10H2,1,3H3.
What are the key properties of 4-methyl-1-propoxypent-4-en-2-amine?
4-methyl-1-propoxypent-4-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propoxypent-4-en-2-amine is sourced from PubChem (CID 79177385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).