2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine

C12H25NO — CID 102641070

IUPAC2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCCOC)CNC(C)C
InChIInChI=1S/C12H25NO/c1-6-12(4,8-7-9-14-5)10-13-11(2)3/h6,11,13H,1,7-10H2,2-5H3
InChIKeyOPYIFXDHXJQVEO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds8

About 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine

2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 102641070) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID102641070
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCCOC)CNC(C)C
InChIInChI=1S/C12H25NO/c1-6-12(4,8-7-9-14-5)10-13-11(2)3/h6,11,13H,1,7-10H2,2-5H3
InChIKeyOPYIFXDHXJQVEO-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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

2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641092
N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 102641252
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641423
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine
CID 139356793
N-(2-ethyl-2-methylbut-3-enyl)oxan-4-amine
CID 144399280
N-(5-methoxypentyl)hex-5-en-1-amine
CID 153618215
N-tert-butyl-5-pent-4-enoxypentan-1-amine
CID 79114426
5-pent-4-enoxy-N-propan-2-ylpentan-1-amine
CID 79114888
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine (CID 102641070) is 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine is C=CC(C)(CCCOC)CNC(C)C.
What is the InChIKey of 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is OPYIFXDHXJQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-12(4,8-7-9-14-5)10-13-11(2)3/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine?
2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methoxy-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 102641070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).