3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine

C17H23N3 — CID 62208799

IUPAC3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
SMILESCC(C)N(Cc1cc2ccccc2nc1N)CC1CC1
InChIInChI=1S/C17H23N3/c1-12(2)20(10-13-7-8-13)11-15-9-14-5-3-4-6-16(14)19-17(15)18/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,18,19)
InChIKeyGXIUABXKJXNOLY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.44
Rot. Bonds5

About 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine

3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine (PubChem CID 62208799) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
PubChem CID62208799
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine
SMILESCC(C)N(Cc1cc2ccccc2nc1N)CC1CC1
InChIInChI=1S/C17H23N3/c1-12(2)20(10-13-7-8-13)11-15-9-14-5-3-4-6-16(14)19-17(15)18/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,18,19)
InChIKeyGXIUABXKJXNOLY-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine?
The IUPAC name of 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine (CID 62208799) is 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine?
The canonical SMILES for 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine is CC(C)N(Cc1cc2ccccc2nc1N)CC1CC1.
What is the InChIKey of 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine?
The InChIKey is GXIUABXKJXNOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)20(10-13-7-8-13)11-15-9-14-5-3-4-6-16(14)19-17(15)18/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,18,19).
What are the key properties of 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine?
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62208799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).