4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C13H27NO — CID 105157672

IUPAC4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCNC(CCC1CC1)COC(C)(C)C
InChIInChI=1S/C13H27NO/c1-5-14-12(9-8-11-6-7-11)10-15-13(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyAAQUOMAKYBUTKH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 105157672) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID105157672
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCNC(CCC1CC1)COC(C)(C)C
InChIInChI=1S/C13H27NO/c1-5-14-12(9-8-11-6-7-11)10-15-13(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyAAQUOMAKYBUTKH-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-1-[(2-methylpropan-2-yl)oxy]-N-propylbutan-2-amine
CID 105157860
2-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 64802946
1-cyclopentyl-5-(2,2-difluoroethoxy)-N-ethylpentan-3-amine
CID 114192296
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921
1-cyclopentyl-N,5-diethylheptan-3-amine
CID 105028198
4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
CID 115415424
(4-cyclopropyl-1-propan-2-yloxybutan-2-yl)hydrazine
CID 105315010
1-cyclopropyl-N-ethyl-5-methylhexan-2-amine
CID 64906798
1-cyclopropyl-N-ethyl-4-propylheptan-3-amine
CID 104995154
1-cyclopentyl-N-ethyloct-7-en-3-amine
CID 104986890
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 105157672) is 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CCNC(CCC1CC1)COC(C)(C)C.
What is the InChIKey of 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is AAQUOMAKYBUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14-12(9-8-11-6-7-11)10-15-13(2,3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 105157672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).