N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine

C10H17N — CID 155306452

IUPACN-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine
SMILESC=CC(=C)NC1CC(C)C1C
InChIInChI=1S/C10H17N/c1-5-8(3)11-10-6-7(2)9(10)4/h5,7,9-11H,1,3,6H2,2,4H3
InChIKeyLULFZCUTYACTPK-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.32
Rot. Bonds3

About N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine

N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine (PubChem CID 155306452) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine
PubChem CID155306452
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine
SMILESC=CC(=C)NC1CC(C)C1C
InChIInChI=1S/C10H17N/c1-5-8(3)11-10-6-7(2)9(10)4/h5,7,9-11H,1,3,6H2,2,4H3
InChIKeyLULFZCUTYACTPK-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-yl-2,3-dimethylcyclobutan-1-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine (CID 155306452) is N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine is C=CC(=C)NC1CC(C)C1C.
What is the InChIKey of N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine?
The InChIKey is LULFZCUTYACTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(3)11-10-6-7(2)9(10)4/h5,7,9-11H,1,3,6H2,2,4H3.
What are the key properties of N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine?
N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 155306452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).