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

C16H31NO — CID 102641532

IUPAC2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
SMILESC=CC(C)(CCCC1CCCO1)CNCC(C)C
InChIInChI=1S/C16H31NO/c1-5-16(4,13-17-12-14(2)3)10-6-8-15-9-7-11-18-15/h5,14-15,17H,1,6-13H2,2-4H3
InChIKeyHAQXILQXGOWSBL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.77
Rot. Bonds9

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

2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 102641532) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
PubChem CID102641532
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
SMILESC=CC(C)(CCCC1CCCO1)CNCC(C)C
InChIInChI=1S/C16H31NO/c1-5-16(4,13-17-12-14(2)3)10-6-8-15-9-7-11-18-15/h5,14-15,17H,1,6-13H2,2-4H3
InChIKeyHAQXILQXGOWSBL-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.77
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

2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
N-(2-methylpropyl)-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65166550
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
2-[4-(chloromethyl)-4,5-dimethylhexyl]oxolane
CID 83152456
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
2-methyl-N-[[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methyl]propan-1-amine
CID 65161458
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine (CID 102641532) is 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine is C=CC(C)(CCCC1CCCO1)CNCC(C)C.
What is the InChIKey of 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is HAQXILQXGOWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-16(4,13-17-12-14(2)3)10-6-8-15-9-7-11-18-15/h5,14-15,17H,1,6-13H2,2-4H3.
What are the key properties of 2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine?
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.77, 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-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 102641532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).