(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine

C13H17N3 — CID 104868148

IUPAC(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCc1ccnc2ccccc12
InChIInChI=1S/C13H17N3/c1-10(8-14)16-9-11-6-7-15-13-5-3-2-4-12(11)13/h2-7,10,16H,8-9,14H2,1H3/t10-/m1/s1
InChIKeySSOUEAMZKJAERO-SNVBAGLBSA-N
MW215.30 g/mol
LogP1.67
Rot. Bonds4

About (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine

(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine (PubChem CID 104868148) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
PubChem CID104868148
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCc1ccnc2ccccc12
InChIInChI=1S/C13H17N3/c1-10(8-14)16-9-11-6-7-15-13-5-3-2-4-12(11)13/h2-7,10,16H,8-9,14H2,1H3/t10-/m1/s1
InChIKeySSOUEAMZKJAERO-SNVBAGLBSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63850551
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine (CID 104868148) is (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine is C[C@H](CN)NCc1ccnc2ccccc12.
What is the InChIKey of (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is SSOUEAMZKJAERO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(8-14)16-9-11-6-7-15-13-5-3-2-4-12(11)13/h2-7,10,16H,8-9,14H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine?
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 215.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104868148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).