N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine

C16H23N3 — CID 79660068

IUPACN',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
SMILESCc1cc(N(C)CC(C)(C)CN)c2ccccc2n1
InChIInChI=1S/C16H23N3/c1-12-9-15(19(4)11-16(2,3)10-17)13-7-5-6-8-14(13)18-12/h5-9H,10-11,17H2,1-4H3
InChIKeyPHVWHXWCJJYNSS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.96
Rot. Bonds4

About N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine

N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine (PubChem CID 79660068) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
PubChem CID79660068
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine
SMILESCc1cc(N(C)CC(C)(C)CN)c2ccccc2n1
InChIInChI=1S/C16H23N3/c1-12-9-15(19(4)11-16(2,3)10-17)13-7-5-6-8-14(13)18-12/h5-9H,10-11,17H2,1-4H3
InChIKeyPHVWHXWCJJYNSS-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine (CID 79660068) is N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine is Cc1cc(N(C)CC(C)(C)CN)c2ccccc2n1.
What is the InChIKey of N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine?
The InChIKey is PHVWHXWCJJYNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-9-15(19(4)11-16(2,3)10-17)13-7-5-6-8-14(13)18-12/h5-9H,10-11,17H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(2-methylquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 79660068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).