N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine

C12H28N4 — CID 177193446

IUPACN-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
SMILESCNCCN1CCN(CCNC(C)C)CC1
InChIInChI=1S/C12H28N4/c1-12(2)14-5-7-16-10-8-15(9-11-16)6-4-13-3/h12-14H,4-11H2,1-3H3
InChIKeyFZPGMGPUXWTJRZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.18
Rot. Bonds7

About N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine

N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine (PubChem CID 177193446) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
PubChem CID177193446
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC NameN-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
SMILESCNCCN1CCN(CCNC(C)C)CC1
InChIInChI=1S/C12H28N4/c1-12(2)14-5-7-16-10-8-15(9-11-16)6-4-13-3/h12-14H,4-11H2,1-3H3
InChIKeyFZPGMGPUXWTJRZ-UHFFFAOYSA-N
XLogP-0.18
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
CID 83963163
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
2-[4-[(dimethylamino)methyl]piperazin-1-yl]-N-methylethanamine
CID 166901369
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
N-methyl-2-piperazin-4-ium-1-ylethanamine
CID 18962734
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine (CID 177193446) is N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine is CNCCN1CCN(CCNC(C)C)CC1.
What is the InChIKey of N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine?
The InChIKey is FZPGMGPUXWTJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-12(2)14-5-7-16-10-8-15(9-11-16)6-4-13-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine?
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine has a molecular weight of 228.38 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 177193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).