3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine

C16H23N3 — CID 43269833

IUPAC3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCN(c1nc2ccccc2cc1CN)C(C)C
InChIInChI=1S/C16H23N3/c1-4-9-19(12(2)3)16-14(11-17)10-13-7-5-6-8-15(13)18-16/h5-8,10,12H,4,9,11,17H2,1-3H3
InChIKeyCMUZDTGQLZQGPJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds5

About 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine

3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine (PubChem CID 43269833) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
PubChem CID43269833
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
SMILESCCCN(c1nc2ccccc2cc1CN)C(C)C
InChIInChI=1S/C16H23N3/c1-4-9-19(12(2)3)16-14(11-17)10-13-7-5-6-8-15(13)18-16/h5-8,10,12H,4,9,11,17H2,1-3H3
InChIKeyCMUZDTGQLZQGPJ-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine (CID 43269833) is 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine is CCCN(c1nc2ccccc2cc1CN)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine?
The InChIKey is CMUZDTGQLZQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-19(12(2)3)16-14(11-17)10-13-7-5-6-8-15(13)18-16/h5-8,10,12H,4,9,11,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine?
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine is sourced from PubChem (CID 43269833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).