N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine

C15H21N3 — CID 63228923

IUPACN',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
SMILESCc1cc2ccccc2nc1N(C)CC(C)CN
InChIInChI=1S/C15H21N3/c1-11(9-16)10-18(3)15-12(2)8-13-6-4-5-7-14(13)17-15/h4-8,11H,9-10,16H2,1-3H3
InChIKeyBIGYCUGPNCBXIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.57
Rot. Bonds4

About N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine

N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine (PubChem CID 63228923) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
PubChem CID63228923
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
SMILESCc1cc2ccccc2nc1N(C)CC(C)CN
InChIInChI=1S/C15H21N3/c1-11(9-16)10-18(3)15-12(2)8-13-6-4-5-7-14(13)17-15/h4-8,11H,9-10,16H2,1-3H3
InChIKeyBIGYCUGPNCBXIP-UHFFFAOYSA-N
XLogP2.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine (CID 63228923) is N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine is Cc1cc2ccccc2nc1N(C)CC(C)CN.
What is the InChIKey of N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
The InChIKey is BIGYCUGPNCBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(9-16)10-18(3)15-12(2)8-13-6-4-5-7-14(13)17-15/h4-8,11H,9-10,16H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63228923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).