2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine

C15H31NO — CID 112591624

IUPAC2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(CCOC(C)(C)C)C1CC1
InChIInChI=1S/C15H31NO/c1-12(2)16-11-15(6,13-7-8-13)9-10-17-14(3,4)5/h12-13,16H,7-11H2,1-6H3
InChIKeyLQTKPEKYFJGXDR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds7

About 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine

2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine (PubChem CID 112591624) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine
PubChem CID112591624
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(CCOC(C)(C)C)C1CC1
InChIInChI=1S/C15H31NO/c1-12(2)16-11-15(6,13-7-8-13)9-10-17-14(3,4)5/h12-13,16H,7-11H2,1-6H3
InChIKeyLQTKPEKYFJGXDR-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 83160149
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
3-cyclohexyl-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159871
2-cyclopropyl-2-methyl-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 83159333
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239
2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine (CID 112591624) is 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)(CCOC(C)(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine?
The InChIKey is LQTKPEKYFJGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)16-11-15(6,13-7-8-13)9-10-17-14(3,4)5/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine?
2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 112591624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).