2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine

C17H32N4 — CID 66413668

IUPAC2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
SMILESCCCn1cccc1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H32N4/c1-5-8-20-9-6-7-16(20)14-18-15-17(2,3)21-12-10-19(4)11-13-21/h6-7,9,18H,5,8,10-15H2,1-4H3
InChIKeyBBWNMLSSXJKXAY-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.01
Rot. Bonds7

About 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine

2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine (PubChem CID 66413668) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
PubChem CID66413668
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
SMILESCCCn1cccc1CNCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C17H32N4/c1-5-8-20-9-6-7-16(20)14-18-15-17(2,3)21-12-10-19(4)11-13-21/h6-7,9,18H,5,8,10-15H2,1-4H3
InChIKeyBBWNMLSSXJKXAY-UHFFFAOYSA-N
XLogP2.01
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine (CID 66413668) is 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine is CCCn1cccc1CNCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
The InChIKey is BBWNMLSSXJKXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-8-20-9-6-7-16(20)14-18-15-17(2,3)21-12-10-19(4)11-13-21/h6-7,9,18H,5,8,10-15H2,1-4H3.
What are the key properties of 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine?
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 66413668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).