8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine

C16H22N4 — CID 43450138

IUPAC8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine
SMILESCCN1CCCC1CNc1ccc(N)c2cccnc12
InChIInChI=1S/C16H22N4/c1-2-20-10-4-5-12(20)11-19-15-8-7-14(17)13-6-3-9-18-16(13)15/h3,6-9,12,19H,2,4-5,10-11,17H2,1H3
InChIKeyVUOBIKAKVSBSAH-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds4

About 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine

8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine (PubChem CID 43450138) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine
PubChem CID43450138
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine
SMILESCCN1CCCC1CNc1ccc(N)c2cccnc12
InChIInChI=1S/C16H22N4/c1-2-20-10-4-5-12(20)11-19-15-8-7-14(17)13-6-3-9-18-16(13)15/h3,6-9,12,19H,2,4-5,10-11,17H2,1H3
InChIKeyVUOBIKAKVSBSAH-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-[(1-ethylpyrrolidin-2-yl)methyl]isoquinoline-5,8-diamine
CID 43448724
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
8-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]quinoline-5-carboxylic acid
CID 166373794
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
CID 107163030
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 43081483
8-N-(3-ethylcyclohexyl)quinoline-5,8-diamine
CID 64749205
8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
CID 63277803
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567

Frequently Asked Questions

What is the IUPAC name of 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine?
The IUPAC name of 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine (CID 43450138) is 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine is CCN1CCCC1CNc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine?
The InChIKey is VUOBIKAKVSBSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-20-10-4-5-12(20)11-19-15-8-7-14(17)13-6-3-9-18-16(13)15/h3,6-9,12,19H,2,4-5,10-11,17H2,1H3.
What are the key properties of 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine?
8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 43450138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).