N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline

C17H29N3 — CID 62775057

IUPACN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
SMILESCCC(C)N1CCN(CCNc2ccccc2C)CC1
InChIInChI=1S/C17H29N3/c1-4-16(3)20-13-11-19(12-14-20)10-9-18-17-8-6-5-7-15(17)2/h5-8,16,18H,4,9-14H2,1-3H3
InChIKeyQBQXQAXJNGVZRK-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline (PubChem CID 62775057) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
PubChem CID62775057
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline
SMILESCCC(C)N1CCN(CCNc2ccccc2C)CC1
InChIInChI=1S/C17H29N3/c1-4-16(3)20-13-11-19(12-14-20)10-9-18-17-8-6-5-7-15(17)2/h5-8,16,18H,4,9-14H2,1-3H3
InChIKeyQBQXQAXJNGVZRK-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62773690
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62773685
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62558638
2-chloro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 55090288
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
2-(4-butan-2-ylpiperazin-1-yl)-N-methyl-1-phenylethanamine
CID 62773053
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylaniline
CID 103540070
1-ethyl-3-[2-(2-methylanilino)ethyl]imidazol-2-one
CID 80582374
N-(2-butan-2-ylsulfanylethyl)-2-methylaniline
CID 62577344
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62773504
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline (CID 62775057) is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline is CCC(C)N1CCN(CCNc2ccccc2C)CC1.
What is the InChIKey of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline?
The InChIKey is QBQXQAXJNGVZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-16(3)20-13-11-19(12-14-20)10-9-18-17-8-6-5-7-15(17)2/h5-8,16,18H,4,9-14H2,1-3H3.
What are the key properties of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline?
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline has a molecular weight of 275.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 62775057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).