4-propan-2-yloxyhexa-1,3-dien-1-amine

C9H17NO — CID 129317621

IUPAC4-propan-2-yloxyhexa-1,3-dien-1-amine
SMILESCCC(=CC=CN)OC(C)C
InChIInChI=1S/C9H17NO/c1-4-9(6-5-7-10)11-8(2)3/h5-8H,4,10H2,1-3H3
InChIKeyMIQJHKRYWHVXDO-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds4

About 4-propan-2-yloxyhexa-1,3-dien-1-amine

4-propan-2-yloxyhexa-1,3-dien-1-amine (PubChem CID 129317621) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-propan-2-yloxyhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxyhexa-1,3-dien-1-amine
PubChem CID129317621
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-propan-2-yloxyhexa-1,3-dien-1-amine
SMILESCCC(=CC=CN)OC(C)C
InChIInChI=1S/C9H17NO/c1-4-9(6-5-7-10)11-8(2)3/h5-8H,4,10H2,1-3H3
InChIKeyMIQJHKRYWHVXDO-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.18
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 4-propan-2-yloxyhexa-1,3-dien-1-amine?
The IUPAC name of 4-propan-2-yloxyhexa-1,3-dien-1-amine (CID 129317621) is 4-propan-2-yloxyhexa-1,3-dien-1-amine.
What is the SMILES notation for 4-propan-2-yloxyhexa-1,3-dien-1-amine?
The canonical SMILES for 4-propan-2-yloxyhexa-1,3-dien-1-amine is CCC(=CC=CN)OC(C)C.
What is the InChIKey of 4-propan-2-yloxyhexa-1,3-dien-1-amine?
The InChIKey is MIQJHKRYWHVXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(6-5-7-10)11-8(2)3/h5-8H,4,10H2,1-3H3.
What are the key properties of 4-propan-2-yloxyhexa-1,3-dien-1-amine?
4-propan-2-yloxyhexa-1,3-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyhexa-1,3-dien-1-amine is sourced from PubChem (CID 129317621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).