N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine

C13H29N3 — CID 66453823

IUPACN-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCCNC(C)C(C)(C)CN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-6-14-12(2)13(3,4)11-16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyCNXAGRZEUDVMTK-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds5

About N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine

N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine (PubChem CID 66453823) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
PubChem CID66453823
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCCNC(C)C(C)(C)CN1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-6-14-12(2)13(3,4)11-16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3
InChIKeyCNXAGRZEUDVMTK-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 66452170
N-ethyl-4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66455139
1-[3-(ethylamino)-2,2-dimethylbutyl]-3-methylpiperidin-4-ol
CID 114681950
3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
CID 66453199
3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
CID 66453174
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
N-ethyl-3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452820
4-(2,3-dimethylpiperidin-1-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66455577
4-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454747
2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
CID 65338096
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
CID 62038004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine (CID 66453823) is N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine is CCNC(C)C(C)(C)CN1CCN(C)CC1.
What is the InChIKey of N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
The InChIKey is CNXAGRZEUDVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-14-12(2)13(3,4)11-16-9-7-15(5)8-10-16/h12,14H,6-11H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 66453823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).