4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine

C13H21N3 — CID 79724278

IUPAC4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCCc2ccccn2)CC1
InChIInChI=1S/C13H21N3/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-3,9,11,13,16H,4-8,10,14H2
InChIKeyAHSSECVXWDLUDR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.48
Rot. Bonds4

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

4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine (PubChem CID 79724278) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
PubChem CID79724278
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCCc2ccccn2)CC1
InChIInChI=1S/C13H21N3/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-3,9,11,13,16H,4-8,10,14H2
InChIKeyAHSSECVXWDLUDR-UHFFFAOYSA-N
XLogP1.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
CID 93317378
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761376
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
1-[2-(4-fluorophenyl)ethyl]-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 75382354
N-[4-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455196
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine (CID 79724278) is 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine is NC1CCC(NCCc2ccccn2)CC1.
What is the InChIKey of 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine?
The InChIKey is AHSSECVXWDLUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-3,9,11,13,16H,4-8,10,14H2.
What are the key properties of 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine?
4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyridin-2-ylethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).