2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine

C14H29NO — CID 106457337

IUPAC2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOCCC)CNCC(C)C
InChIInChI=1S/C14H29NO/c1-6-9-16-10-8-14(5,7-2)12-15-11-13(3)4/h7,13,15H,2,6,8-12H2,1,3-5H3
InChIKeySXLTZBBOKCYSBS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.24
Rot. Bonds10

About 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine

2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine (PubChem CID 106457337) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
PubChem CID106457337
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOCCC)CNCC(C)C
InChIInChI=1S/C14H29NO/c1-6-9-16-10-8-14(5,7-2)12-15-11-13(3)4/h7,13,15H,2,6,8-12H2,1,3-5H3
InChIKeySXLTZBBOKCYSBS-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.24
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

N-(2-methoxyethyl)-2-methyl-2-[2-(2-methylpropoxy)ethyl]but-3-en-1-amine
CID 106457338
2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
2-(cyclopropylmethoxymethyl)-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 106931007
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641061
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
2-methyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]but-3-en-1-amine
CID 102641549
2-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-en-1-amine
CID 103014875
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
CID 102641532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine (CID 106457337) is 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine is C=CC(C)(CCOCCC)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine?
The InChIKey is SXLTZBBOKCYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-9-16-10-8-14(5,7-2)12-15-11-13(3)4/h7,13,15H,2,6,8-12H2,1,3-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine?
2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(2-propoxyethyl)but-3-en-1-amine is sourced from PubChem (CID 106457337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).