N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

C15H28N4 — CID 66411495

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCn1cccc1CNCCCN1CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-3-19-9-4-6-15(19)14-16-7-5-8-18-12-10-17(2)11-13-18/h4,6,9,16H,3,5,7-8,10-14H2,1-2H3
InChIKeyQDHWNQLXUIHJQG-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.24
Rot. Bonds7

About N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine

N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 66411495) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID66411495
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCCn1cccc1CNCCCN1CCN(C)CC1
InChIInChI=1S/C15H28N4/c1-3-19-9-4-6-15(19)14-16-7-5-8-18-12-10-17(2)11-13-18/h4,6,9,16H,3,5,7-8,10-14H2,1-2H3
InChIKeyQDHWNQLXUIHJQG-UHFFFAOYSA-N
XLogP1.24
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
CID 66443623
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 66444811
N-[(1-ethylpyrrol-2-yl)methyl]-2-methylsulfonylethanamine
CID 66411958
N-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]heptan-1-amine
CID 4537540
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66413133

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 66411495) is N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is CCn1cccc1CNCCCN1CCN(C)CC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is QDHWNQLXUIHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-19-9-4-6-15(19)14-16-7-5-8-18-12-10-17(2)11-13-18/h4,6,9,16H,3,5,7-8,10-14H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 66411495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).