N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine

C18H25N3 — CID 62581089

IUPACN-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C18H25N3/c1-14(2)20-12-17-6-4-10-21(17)13-15-7-8-18-16(11-15)5-3-9-19-18/h3,5,7-9,11,14,17,20H,4,6,10,12-13H2,1-2H3
InChIKeyPHKFOBVRAWENPG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds5

About N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 62581089) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID62581089
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C18H25N3/c1-14(2)20-12-17-6-4-10-21(17)13-15-7-8-18-16(11-15)5-3-9-19-18/h3,5,7-9,11,14,17,20H,4,6,10,12-13H2,1-2H3
InChIKeyPHKFOBVRAWENPG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
CID 43183351
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
2-fluoro-5-[[2-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 107887854

Frequently Asked Questions

What is the IUPAC name of N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 62581089) is N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is PHKFOBVRAWENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)20-12-17-6-4-10-21(17)13-15-7-8-18-16(11-15)5-3-9-19-18/h3,5,7-9,11,14,17,20H,4,6,10,12-13H2,1-2H3.
What are the key properties of N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62581089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).