2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine

C14H23N3 — CID 79174152

IUPAC2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)CC2CCCCC2)ncc1N
InChIInChI=1S/C14H23N3/c1-11-8-14(16-9-13(11)15)17(2)10-12-6-4-3-5-7-12/h8-9,12H,3-7,10,15H2,1-2H3
InChIKeyPIMFYXOXFDHUSE-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.99
Rot. Bonds3

About 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine

2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 79174152) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID79174152
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCc1cc(N(C)CC2CCCCC2)ncc1N
InChIInChI=1S/C14H23N3/c1-11-8-14(16-9-13(11)15)17(2)10-12-6-4-3-5-7-12/h8-9,12H,3-7,10,15H2,1-2H3
InChIKeyPIMFYXOXFDHUSE-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine (CID 79174152) is 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine is Cc1cc(N(C)CC2CCCCC2)ncc1N.
What is the InChIKey of 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is PIMFYXOXFDHUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-8-14(16-9-13(11)15)17(2)10-12-6-4-3-5-7-12/h8-9,12H,3-7,10,15H2,1-2H3.
What are the key properties of 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine?
2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 79174152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).