3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine

C18H33N3 — CID 171819697

IUPAC3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine
SMILESCc1cc(NC(C)CC(C)C)cnc1NC(C)CC(C)C
InChIInChI=1S/C18H33N3/c1-12(2)8-15(6)20-17-10-14(5)18(19-11-17)21-16(7)9-13(3)4/h10-13,15-16,20H,8-9H2,1-7H3,(H,19,21)
InChIKeyQMIJYRHYKAMUEZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.08
Rot. Bonds8

About 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine

3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine (PubChem CID 171819697) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine
PubChem CID171819697
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine
SMILESCc1cc(NC(C)CC(C)C)cnc1NC(C)CC(C)C
InChIInChI=1S/C18H33N3/c1-12(2)8-15(6)20-17-10-14(5)18(19-11-17)21-16(7)9-13(3)4/h10-13,15-16,20H,8-9H2,1-7H3,(H,19,21)
InChIKeyQMIJYRHYKAMUEZ-UHFFFAOYSA-N
XLogP5.08
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
CID 97358406
3-bromo-4-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 106875484
3-methyl-4-[2-[2-methyl-4-(4-methylpentan-2-ylamino)phenoxy]ethoxy]-N-(4-methylpentan-2-yl)aniline
CID 70605236
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
3-fluoro-4-methyl-N-(4-methylpentan-2-yl)aniline
CID 43098407
3,5-dimethyl-N-propan-2-ylpyridin-2-amine
CID 130223836
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165
N-(4-methylpentan-2-yl)quinoxalin-6-amine
CID 54863402

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine (CID 171819697) is 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine is Cc1cc(NC(C)CC(C)C)cnc1NC(C)CC(C)C.
What is the InChIKey of 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine?
The InChIKey is QMIJYRHYKAMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-12(2)8-15(6)20-17-10-14(5)18(19-11-17)21-16(7)9-13(3)4/h10-13,15-16,20H,8-9H2,1-7H3,(H,19,21).
What are the key properties of 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine?
3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine has a molecular weight of 291.48 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 171819697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).