4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine

C14H25N5 — CID 54587787

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1
InChIInChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1
InChIKeyPICSWVJBZNFKQI-LLVKDONJSA-N
MW263.39 g/mol
LogP1.53
Rot. Bonds5

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine (PubChem CID 54587787) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine
PubChem CID54587787
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1
InChIInChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1
InChIKeyPICSWVJBZNFKQI-LLVKDONJSA-N
XLogP1.53
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine (CID 54587787) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine is CN[C@@H]1CCN(c2cc(N)nc(NCC(C)C)c2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine?
The InChIKey is PICSWVJBZNFKQI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-N-(2-methylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 54587787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).