N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine

C14H26N4 — CID 83009210

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine
SMILESCCn1c(C)cc(CNN2CCN(C)CC2)c1C
InChIInChI=1S/C14H26N4/c1-5-18-12(2)10-14(13(18)3)11-15-17-8-6-16(4)7-9-17/h10,15H,5-9,11H2,1-4H3
InChIKeyMARXPZMNUMLYLE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.38
Rot. Bonds4

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83009210) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine
PubChem CID83009210
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine
SMILESCCn1c(C)cc(CNN2CCN(C)CC2)c1C
InChIInChI=1S/C14H26N4/c1-5-18-12(2)10-14(13(18)3)11-15-17-8-6-16(4)7-9-17/h10,15H,5-9,11H2,1-4H3
InChIKeyMARXPZMNUMLYLE-UHFFFAOYSA-N
XLogP1.38
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine (CID 83009210) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine is CCn1c(C)cc(CNN2CCN(C)CC2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is MARXPZMNUMLYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-18-12(2)10-14(13(18)3)11-15-17-8-6-16(4)7-9-17/h10,15H,5-9,11H2,1-4H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).