3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine

C18H39N3O — CID 134579953

IUPAC3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCCN1CCN(C(C)(C)C(C)C)CC1
InChIInChI=1S/C18H39N3O/c1-16(2)18(5,6)21-11-9-20(10-12-21)13-15-22-14-7-8-19-17(3)4/h16-17,19H,7-15H2,1-6H3
InChIKeyUCIIYTYIDAAMBC-UHFFFAOYSA-N
MW313.53 g/mol
LogP2.44
Rot. Bonds10

About 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine

3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 134579953) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine
PubChem CID134579953
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Name3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOCCN1CCN(C(C)(C)C(C)C)CC1
InChIInChI=1S/C18H39N3O/c1-16(2)18(5,6)21-11-9-20(10-12-21)13-15-22-14-7-8-19-17(3)4/h16-17,19H,7-15H2,1-6H3
InChIKeyUCIIYTYIDAAMBC-UHFFFAOYSA-N
XLogP2.44
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 155740209
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 176596314
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
CID 176581495

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine (CID 134579953) is 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine is CC(C)NCCCOCCN1CCN(C(C)(C)C(C)C)CC1.
What is the InChIKey of 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is UCIIYTYIDAAMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O/c1-16(2)18(5,6)21-11-9-20(10-12-21)13-15-22-14-7-8-19-17(3)4/h16-17,19H,7-15H2,1-6H3.
What are the key properties of 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine?
3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 313.53 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dimethylbutan-2-yl)piperazin-1-yl]ethoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 134579953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).