2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine

C15H29NO — CID 102640871

IUPAC2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESC=CC(C)(CCCC1CCCO1)CNCCC
InChIInChI=1S/C15H29NO/c1-4-11-16-13-15(3,5-2)10-6-8-14-9-7-12-17-14/h5,14,16H,2,4,6-13H2,1,3H3
InChIKeyKJSXFVBIJXUQRW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds9

About 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine

2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 102640871) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID102640871
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESC=CC(C)(CCCC1CCCO1)CNCCC
InChIInChI=1S/C15H29NO/c1-4-11-16-13-15(3,5-2)10-6-8-14-9-7-12-17-14/h5,14,16H,2,4,6-13H2,1,3H3
InChIKeyKJSXFVBIJXUQRW-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-2-methyl-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65165040
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
2-ethyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165261
N,2,2-triethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165654
N-ethyl-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166502
2,2-dimethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65166504
2,2-dimethyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
CID 65166612
N-ethyl-3,3-dimethyl-6-(oxolan-2-yl)hexan-1-amine
CID 81022332
3,3-dimethyl-6-(oxolan-2-yl)-N-propylhexan-1-amine
CID 81022867
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

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine (CID 102640871) is 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine is C=CC(C)(CCCC1CCCO1)CNCCC.
What is the InChIKey of 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is KJSXFVBIJXUQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-11-16-13-15(3,5-2)10-6-8-14-9-7-12-17-14/h5,14,16H,2,4,6-13H2,1,3H3.
What are the key properties of 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-5-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 102640871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).