2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine

C13H25NO — CID 102640538

IUPAC2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESC=CC(C)(CCCC1CCCO1)CNC
InChIInChI=1S/C13H25NO/c1-4-13(2,11-14-3)9-5-7-12-8-6-10-15-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyYIBIOPJISVQJKU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine

2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 102640538) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
PubChem CID102640538
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESC=CC(C)(CCCC1CCCO1)CNC
InChIInChI=1S/C13H25NO/c1-4-13(2,11-14-3)9-5-7-12-8-6-10-15-12/h4,12,14H,1,5-11H2,2-3H3
InChIKeyYIBIOPJISVQJKU-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine
CID 170265770
N,2-dimethyl-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65164986
2-ethyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165206
2,2-diethyl-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165652
N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166448
2-Ethenyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640360
2-[(5,5-Dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640364
2-Methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640373
2-Methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640424
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640543
N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640552
N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640600

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine (CID 102640538) is 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine is C=CC(C)(CCCC1CCCO1)CNC.
What is the InChIKey of 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is YIBIOPJISVQJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(2,11-14-3)9-5-7-12-8-6-10-15-12/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine?
2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 102640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).