1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine

C15H24N4 — CID 170245862

IUPAC1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
SMILESCCNCc1c[nH]c(CC(C)NCc2ccc[nH]2)c1
InChIInChI=1S/C15H24N4/c1-3-16-9-13-8-15(19-10-13)7-12(2)18-11-14-5-4-6-17-14/h4-6,8,10,12,16-19H,3,7,9,11H2,1-2H3
InChIKeyFQJNDBVCOUNECP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.17
Rot. Bonds8

About 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine

1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine (PubChem CID 170245862) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
PubChem CID170245862
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
SMILESCCNCc1c[nH]c(CC(C)NCc2ccc[nH]2)c1
InChIInChI=1S/C15H24N4/c1-3-16-9-13-8-15(19-10-13)7-12(2)18-11-14-5-4-6-17-14/h4-6,8,10,12,16-19H,3,7,9,11H2,1-2H3
InChIKeyFQJNDBVCOUNECP-UHFFFAOYSA-N
XLogP2.17
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-(1H-pyrrol-2-ylmethyl)butan-2-amine
CID 103578817
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
CID 62339423
2-methylsulfanyl-3-(1H-pyrrol-2-ylmethylamino)butan-1-ol
CID 103578656
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81368969
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81396209
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81378080
1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663586
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine (CID 170245862) is 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine is CCNCc1c[nH]c(CC(C)NCc2ccc[nH]2)c1.
What is the InChIKey of 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
The InChIKey is FQJNDBVCOUNECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-16-9-13-8-15(19-10-13)7-12(2)18-11-14-5-4-6-17-14/h4-6,8,10,12,16-19H,3,7,9,11H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine?
1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 170245862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).