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

C25H28N4 — CID 163409701

IUPAC2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine
SMILESCc1nc2ccccc2cc1C(N)C(C)(C)C(N)c1cc2ccccc2nc1C
InChIInChI=1S/C25H28N4/c1-15-19(13-17-9-5-7-11-21(17)28-15)23(26)25(3,4)24(27)20-14-18-10-6-8-12-22(18)29-16(20)2/h5-14,23-24H,26-27H2,1-4H3
InChIKeyYXQJILBFHCADCA-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.13
Rot. Bonds4

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

2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine (PubChem CID 163409701) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine
PubChem CID163409701
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine
SMILESCc1nc2ccccc2cc1C(N)C(C)(C)C(N)c1cc2ccccc2nc1C
InChIInChI=1S/C25H28N4/c1-15-19(13-17-9-5-7-11-21(17)28-15)23(26)25(3,4)24(27)20-14-18-10-6-8-12-22(18)29-16(20)2/h5-14,23-24H,26-27H2,1-4H3
InChIKeyYXQJILBFHCADCA-UHFFFAOYSA-N
XLogP5.13
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
3-tert-butyl-2-methylquinoline
CID 89390827
2-(2-methylquinolin-3-yl)aniline
CID 164679220
(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856
3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine
CID 63229243
acridine;ethane
CID 123684759
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
acridine
CID 21226281
2-(3-aminoquinolin-2-yl)propan-2-ol;ethane-1,2-disulfonic acid
CID 155717532

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine (CID 163409701) is 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine is Cc1nc2ccccc2cc1C(N)C(C)(C)C(N)c1cc2ccccc2nc1C.
What is the InChIKey of 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine?
The InChIKey is YXQJILBFHCADCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-15-19(13-17-9-5-7-11-21(17)28-15)23(26)25(3,4)24(27)20-14-18-10-6-8-12-22(18)29-16(20)2/h5-14,23-24H,26-27H2,1-4H3.
What are the key properties of 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine?
2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine has a molecular weight of 384.53 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 163409701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).