N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine

C10H19NO — CID 129086308

IUPACN-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine
SMILESC=C(CC(C)(C)C)NC1COC1
InChIInChI=1S/C10H19NO/c1-8(5-10(2,3)4)11-9-6-12-7-9/h9,11H,1,5-7H2,2-4H3
InChIKeyHCIORVAXAZJSRL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.92
Rot. Bonds3

About N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine

N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine (PubChem CID 129086308) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine
PubChem CID129086308
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine
SMILESC=C(CC(C)(C)C)NC1COC1
InChIInChI=1S/C10H19NO/c1-8(5-10(2,3)4)11-9-6-12-7-9/h9,11H,1,5-7H2,2-4H3
InChIKeyHCIORVAXAZJSRL-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine (CID 129086308) is N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine is C=C(CC(C)(C)C)NC1COC1.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine?
The InChIKey is HCIORVAXAZJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(5-10(2,3)4)11-9-6-12-7-9/h9,11H,1,5-7H2,2-4H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine?
N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)oxetan-3-amine is sourced from PubChem (CID 129086308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).