N-buta-1,3-dien-2-yloxan-2-amine

C9H15NO — CID 137483409

IUPACN-buta-1,3-dien-2-yloxan-2-amine
SMILESC=CC(=C)NC1CCCCO1
InChIInChI=1S/C9H15NO/c1-3-8(2)10-9-6-4-5-7-11-9/h3,9-10H,1-2,4-7H2
InChIKeyKWIYLPZOKNTRRW-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds3

About N-buta-1,3-dien-2-yloxan-2-amine

N-buta-1,3-dien-2-yloxan-2-amine (PubChem CID 137483409) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yloxan-2-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yloxan-2-amine
PubChem CID137483409
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-buta-1,3-dien-2-yloxan-2-amine
SMILESC=CC(=C)NC1CCCCO1
InChIInChI=1S/C9H15NO/c1-3-8(2)10-9-6-4-5-7-11-9/h3,9-10H,1-2,4-7H2
InChIKeyKWIYLPZOKNTRRW-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yloxan-2-amine?
The IUPAC name of N-buta-1,3-dien-2-yloxan-2-amine (CID 137483409) is N-buta-1,3-dien-2-yloxan-2-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yloxan-2-amine?
The canonical SMILES for N-buta-1,3-dien-2-yloxan-2-amine is C=CC(=C)NC1CCCCO1.
What is the InChIKey of N-buta-1,3-dien-2-yloxan-2-amine?
The InChIKey is KWIYLPZOKNTRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8(2)10-9-6-4-5-7-11-9/h3,9-10H,1-2,4-7H2.
What are the key properties of N-buta-1,3-dien-2-yloxan-2-amine?
N-buta-1,3-dien-2-yloxan-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yloxan-2-amine is sourced from PubChem (CID 137483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).