2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine

C13H29N3O — CID 63069699

IUPAC2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCOC(CN)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-4-17-13(11-14)5-6-15-7-9-16(10-8-15)12(2)3/h12-13H,4-11,14H2,1-3H3
InChIKeyVHOTXIBPUZTBCM-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds7

About 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine

2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 63069699) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID63069699
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCOC(CN)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-4-17-13(11-14)5-6-15-7-9-16(10-8-15)12(2)3/h12-13H,4-11,14H2,1-3H3
InChIKeyVHOTXIBPUZTBCM-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558
1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol
CID 81097296
2-ethoxy-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 63070793
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 63070656
1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine
CID 175636192
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
CID 79414609
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
CID 63069725
1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311
2-[3-(4-methylpiperazin-1-yl)propoxy]pentan-1-amine
CID 57057662
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
CID 63070084
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine (CID 63069699) is 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine is CCOC(CN)CCN1CCN(C(C)C)CC1.
What is the InChIKey of 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is VHOTXIBPUZTBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-17-13(11-14)5-6-15-7-9-16(10-8-15)12(2)3/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine?
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 63069699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).