(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine

C8H15NO — CID 139323441

IUPAC(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine
SMILESC=C(N)/C(=C\C)OC(C)C
InChIInChI=1S/C8H15NO/c1-5-8(7(4)9)10-6(2)3/h5-6H,4,9H2,1-3H3/b8-5+
InChIKeyRVMNPLYZMCUWQD-VMPITWQZSA-N
MW141.21 g/mol
LogP1.79
Rot. Bonds3

About (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine

(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine (PubChem CID 139323441) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine
PubChem CID139323441
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine
SMILESC=C(N)/C(=C\C)OC(C)C
InChIInChI=1S/C8H15NO/c1-5-8(7(4)9)10-6(2)3/h5-6H,4,9H2,1-3H3/b8-5+
InChIKeyRVMNPLYZMCUWQD-VMPITWQZSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine (CID 139323441) is (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine is C=C(N)/C(=C\C)OC(C)C.
What is the InChIKey of (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine?
The InChIKey is RVMNPLYZMCUWQD-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(7(4)9)10-6(2)3/h5-6H,4,9H2,1-3H3/b8-5+.
What are the key properties of (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine?
(3E)-3-propan-2-yloxypenta-1,3-dien-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-propan-2-yloxypenta-1,3-dien-2-amine is sourced from PubChem (CID 139323441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).