N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine

C13H27NO — CID 102640751

IUPACN-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)(C)C)CNCC
InChIInChI=1S/C13H27NO/c1-7-13(6,11-14-8-2)9-10-15-12(3,4)5/h7,14H,1,8-11H2,2-6H3
InChIKeyRAPSGTHNBVDAIS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine

N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine (PubChem CID 102640751) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
PubChem CID102640751
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)(C)C)CNCC
InChIInChI=1S/C13H27NO/c1-7-13(6,11-14-8-2)9-10-15-12(3,4)5/h7,14H,1,8-11H2,2-6H3
InChIKeyRAPSGTHNBVDAIS-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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

N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
N-tert-butyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719697
2-methyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 113719718
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
3-(3,3-dimethylbutoxy)-N,3-dimethylbutan-1-amine;pent-1-ene
CID 144434541
N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
CID 144887236
4-pent-4-enoxy-N-propylbutan-1-amine
CID 79112687
N-ethyl-4-pent-4-enoxybutan-1-amine
CID 79113465
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine (CID 102640751) is N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine is C=CC(C)(CCOC(C)(C)C)CNCC.
What is the InChIKey of N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
The InChIKey is RAPSGTHNBVDAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(6,11-14-8-2)9-10-15-12(3,4)5/h7,14H,1,8-11H2,2-6H3.
What are the key properties of N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine?
N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).