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

C15H33N3 — CID 28728916

IUPAC2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine
SMILESCCC(CC)CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-6-14(7-2)12-16-13-15(3,4)18-10-8-17(5)9-11-18/h14,16H,6-13H2,1-5H3
InChIKeyDHGCQGWGFLVDQY-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

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

2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine (PubChem CID 28728916) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine
PubChem CID28728916
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine
SMILESCCC(CC)CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-6-14(7-2)12-16-13-15(3,4)18-10-8-17(5)9-11-18/h14,16H,6-13H2,1-5H3
InChIKeyDHGCQGWGFLVDQY-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 81086850
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
CID 60761134
2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine
CID 103387653
2-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79708398
3,5-dimethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64724439
2-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]propanoic acid
CID 66173896
2-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43207756
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66413668
2-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61171194

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine (CID 28728916) is 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine is CCC(CC)CNCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine?
The InChIKey is DHGCQGWGFLVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-14(7-2)12-16-13-15(3,4)18-10-8-17(5)9-11-18/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine?
2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 28728916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).