2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine

C17H37N3 — CID 63620912

IUPAC2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC1CN(CC(C)(CC)CNCC(C)C)CCN1C
InChIInChI=1S/C17H37N3/c1-7-16-12-20(10-9-19(16)6)14-17(5,8-2)13-18-11-15(3)4/h15-16,18H,7-14H2,1-6H3
InChIKeyPAOPYEIBHJLJPL-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds8

About 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63620912) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63620912
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC1CN(CC(C)(CC)CNCC(C)C)CCN1C
InChIInChI=1S/C17H37N3/c1-7-16-12-20(10-9-19(16)6)14-17(5,8-2)13-18-11-15(3)4/h15-16,18H,7-14H2,1-6H3
InChIKeyPAOPYEIBHJLJPL-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
CID 106674168
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63635481
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63621256
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63024438
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107395093
2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 103539012

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 63620912) is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is CCC1CN(CC(C)(CC)CNCC(C)C)CCN1C.
What is the InChIKey of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is PAOPYEIBHJLJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-16-12-20(10-9-19(16)6)14-17(5,8-2)13-18-11-15(3)4/h15-16,18H,7-14H2,1-6H3.
What are the key properties of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63620912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).