2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine

C15H25N3 — CID 115118174

IUPAC2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine
SMILESCC(C)(CNC1CCCCC1N)c1ccncc1
InChIInChI=1S/C15H25N3/c1-15(2,12-7-9-17-10-8-12)11-18-14-6-4-3-5-13(14)16/h7-10,13-14,18H,3-6,11,16H2,1-2H3
InChIKeyBKAXDWXHUUYOLH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.22
Rot. Bonds4

About 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine

2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine (PubChem CID 115118174) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine
PubChem CID115118174
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine
SMILESCC(C)(CNC1CCCCC1N)c1ccncc1
InChIInChI=1S/C15H25N3/c1-15(2,12-7-9-17-10-8-12)11-18-14-6-4-3-5-13(14)16/h7-10,13-14,18H,3-6,11,16H2,1-2H3
InChIKeyBKAXDWXHUUYOLH-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
4-Pyridinemethanamine
CID 77317
3-Ethyl-4-methylpyridine
CID 68254
Lanicemine
CID 9794203
3,4-Dimethylpyridine
CID 11417
4-Styrylpyridine
CID 641098
4-Isopropylpyridine
CID 69674

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine (CID 115118174) is 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine is CC(C)(CNC1CCCCC1N)c1ccncc1.
What is the InChIKey of 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine?
The InChIKey is BKAXDWXHUUYOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,12-7-9-17-10-8-12)11-18-14-6-4-3-5-13(14)16/h7-10,13-14,18H,3-6,11,16H2,1-2H3.
What are the key properties of 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine?
2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115118174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).