1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine

C18H25N3 — CID 61208707

IUPAC1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
SMILESCC(C)N1CCC(CNCc2cccc3cccnc23)C1
InChIInChI=1S/C18H25N3/c1-14(2)21-10-8-15(13-21)11-19-12-17-6-3-5-16-7-4-9-20-18(16)17/h3-7,9,14-15,19H,8,10-13H2,1-2H3
InChIKeyYJVSNWKXWJANJF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.05
Rot. Bonds5

About 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine

1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 61208707) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
PubChem CID61208707
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine
SMILESCC(C)N1CCC(CNCc2cccc3cccnc23)C1
InChIInChI=1S/C18H25N3/c1-14(2)21-10-8-15(13-21)11-19-12-17-6-3-5-16-7-4-9-20-18(16)17/h3-7,9,14-15,19H,8,10-13H2,1-2H3
InChIKeyYJVSNWKXWJANJF-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
CID 97217638
5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline
CID 126704800
3-(hydroxymethyl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboxamide
CID 111443887
3-methyl-4-(quinolin-8-ylmethylamino)butan-1-ol
CID 66089220
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
N-[(2,4-dichlorophenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207914
1-cyclopentyl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 103158149
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 62351902
1-[(3R,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 97026989

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine (CID 61208707) is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine is CC(C)N1CCC(CNCc2cccc3cccnc23)C1.
What is the InChIKey of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is YJVSNWKXWJANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)21-10-8-15(13-21)11-19-12-17-6-3-5-16-7-4-9-20-18(16)17/h3-7,9,14-15,19H,8,10-13H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine?
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 61208707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).