(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine

C14H17N3 — CID 68962287

IUPAC(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C14H17N3/c15-12-7-8-17(9-12)10-13-6-5-11-3-1-2-4-14(11)16-13/h1-6,12H,7-10,15H2/t12-/m1/s1
InChIKeyOZVCUQGRQKKSLQ-GFCCVEGCSA-N
MW227.31 g/mol
LogP1.77
Rot. Bonds2

About (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine

(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 68962287) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
PubChem CID68962287
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C14H17N3/c15-12-7-8-17(9-12)10-13-6-5-11-3-1-2-4-14(11)16-13/h1-6,12H,7-10,15H2/t12-/m1/s1
InChIKeyOZVCUQGRQKKSLQ-GFCCVEGCSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 164698384
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
2-[[4-(1-bromoethyl)piperidin-1-yl]methyl]quinoline
CID 106838403
N-methyl-1-[1-(quinolin-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63852699
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368680

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine (CID 68962287) is (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine is N[C@@H]1CCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is OZVCUQGRQKKSLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3/c15-12-7-8-17(9-12)10-13-6-5-11-3-1-2-4-14(11)16-13/h1-6,12H,7-10,15H2/t12-/m1/s1.
What are the key properties of (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine?
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 227.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 68962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).