4-methyl-1-propan-2-yloxypent-4-en-2-amine

C9H19NO — CID 105162973

IUPAC4-methyl-1-propan-2-yloxypent-4-en-2-amine
SMILESC=C(C)CC(N)COC(C)C
InChIInChI=1S/C9H19NO/c1-7(2)5-9(10)6-11-8(3)4/h8-9H,1,5-6,10H2,2-4H3
InChIKeyVRVAFBCRESDRKD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds5

About 4-methyl-1-propan-2-yloxypent-4-en-2-amine

4-methyl-1-propan-2-yloxypent-4-en-2-amine (PubChem CID 105162973) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yloxypent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yloxypent-4-en-2-amine
PubChem CID105162973
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-1-propan-2-yloxypent-4-en-2-amine
SMILESC=C(C)CC(N)COC(C)C
InChIInChI=1S/C9H19NO/c1-7(2)5-9(10)6-11-8(3)4/h8-9H,1,5-6,10H2,2-4H3
InChIKeyVRVAFBCRESDRKD-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yloxypent-4-en-2-amine?
The IUPAC name of 4-methyl-1-propan-2-yloxypent-4-en-2-amine (CID 105162973) is 4-methyl-1-propan-2-yloxypent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-propan-2-yloxypent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-propan-2-yloxypent-4-en-2-amine is C=C(C)CC(N)COC(C)C.
What is the InChIKey of 4-methyl-1-propan-2-yloxypent-4-en-2-amine?
The InChIKey is VRVAFBCRESDRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-9(10)6-11-8(3)4/h8-9H,1,5-6,10H2,2-4H3.
What are the key properties of 4-methyl-1-propan-2-yloxypent-4-en-2-amine?
4-methyl-1-propan-2-yloxypent-4-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yloxypent-4-en-2-amine is sourced from PubChem (CID 105162973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).