2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine

C16H22N4 — CID 43450881

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
SMILESCCN1CCCC1CNc1ccc2cc(N)ccc2n1
InChIInChI=1S/C16H22N4/c1-2-20-9-3-4-14(20)11-18-16-8-5-12-10-13(17)6-7-15(12)19-16/h5-8,10,14H,2-4,9,11,17H2,1H3,(H,18,19)
InChIKeyJQSRKELCTPWTJJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.71
Rot. Bonds4

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine (PubChem CID 43450881) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
PubChem CID43450881
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
SMILESCCN1CCCC1CNc1ccc2cc(N)ccc2n1
InChIInChI=1S/C16H22N4/c1-2-20-9-3-4-14(20)11-18-16-8-5-12-10-13(17)6-7-15(12)19-16/h5-8,10,14H,2-4,9,11,17H2,1H3,(H,18,19)
InChIKeyJQSRKELCTPWTJJ-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

2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
2-N-(thiolan-2-ylmethyl)quinoline-2,6-diamine
CID 80584933
2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 134708598
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111261939
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine (CID 43450881) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine is CCN1CCCC1CNc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine?
The InChIKey is JQSRKELCTPWTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-20-9-3-4-14(20)11-18-16-8-5-12-10-13(17)6-7-15(12)19-16/h5-8,10,14H,2-4,9,11,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-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 2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine is sourced from PubChem (CID 43450881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).