2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine

C16H27N3 — CID 115148083

IUPAC2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC(C)(C)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-12-9-14(17)10-18-15(12)19-11-16(2,3)13-7-5-4-6-8-13/h9-10,13H,4-8,11,17H2,1-3H3,(H,18,19)
InChIKeyMIWSTMLZDNPPFA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds4

About 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine

2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine (PubChem CID 115148083) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine
PubChem CID115148083
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC(C)(C)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-12-9-14(17)10-18-15(12)19-11-16(2,3)13-7-5-4-6-8-13/h9-10,13H,4-8,11,17H2,1-3H3,(H,18,19)
InChIKeyMIWSTMLZDNPPFA-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine (CID 115148083) is 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1NCC(C)(C)C1CCCCC1.
What is the InChIKey of 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine?
The InChIKey is MIWSTMLZDNPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-9-14(17)10-18-15(12)19-11-16(2,3)13-7-5-4-6-8-13/h9-10,13H,4-8,11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine?
2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclohexyl-2-methylpropyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 115148083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).