2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine

C13H27NO — CID 83159358

IUPAC2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOCCC(C)(CNCC(C)C)C1CC1
InChIInChI=1S/C13H27NO/c1-11(2)9-14-10-13(3,7-8-15-4)12-5-6-12/h11-12,14H,5-10H2,1-4H3
InChIKeyOIMBJIOJWMDQBB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds8

About 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine

2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83159358) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83159358
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOCCC(C)(CNCC(C)C)C1CC1
InChIInChI=1S/C13H27NO/c1-11(2)9-14-10-13(3,7-8-15-4)12-5-6-12/h11-12,14H,5-10H2,1-4H3
InChIKeyOIMBJIOJWMDQBB-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 83159358) is 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine is COCCC(C)(CNCC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is OIMBJIOJWMDQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-14-10-13(3,7-8-15-4)12-5-6-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83159358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).