2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine

C14H26N4 — CID 115238521

IUPAC2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCN1CCNCC1CNCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C14H26N4/c1-14(2,12-4-5-15-8-12)11-17-10-13-9-16-6-7-18(13)3/h4-5,8,13,15-17H,6-7,9-11H2,1-3H3
InChIKeyRBEJCNFSWMEBHE-UHFFFAOYSA-N
MW250.39 g/mol
LogP0.79
Rot. Bonds5

About 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine

2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine (PubChem CID 115238521) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine
PubChem CID115238521
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCN1CCNCC1CNCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C14H26N4/c1-14(2,12-4-5-15-8-12)11-17-10-13-9-16-6-7-18(13)3/h4-5,8,13,15-17H,6-7,9-11H2,1-3H3
InChIKeyRBEJCNFSWMEBHE-UHFFFAOYSA-N
XLogP0.79
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine (CID 115238521) is 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine is CN1CCNCC1CNCC(C)(C)c1cc[nH]c1.
What is the InChIKey of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine?
The InChIKey is RBEJCNFSWMEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,12-4-5-15-8-12)11-17-10-13-9-16-6-7-18(13)3/h4-5,8,13,15-17H,6-7,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine?
2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1H-pyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 115238521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).