4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine

C18H31N3 — CID 65414759

IUPAC4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CCCC(CC)C1
InChIInChI=1S/C18H31N3/c1-3-9-20-17(12-15-8-10-21-18(19)13-15)16-7-5-6-14(4-2)11-16/h8,10,13-14,16-17,20H,3-7,9,11-12H2,1-2H3,(H2,19,21)
InChIKeyLBLFYAKSHQHURN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.79
Rot. Bonds7

About 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine

4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 65414759) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID65414759
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CCCC(CC)C1
InChIInChI=1S/C18H31N3/c1-3-9-20-17(12-15-8-10-21-18(19)13-15)16-7-5-6-14(4-2)11-16/h8,10,13-14,16-17,20H,3-7,9,11-12H2,1-2H3,(H2,19,21)
InChIKeyLBLFYAKSHQHURN-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-2-(3-ethylcyclohexyl)ethyl]pyridin-2-amine
CID 65412909
4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115337065
N-[1-(3-ethylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824497
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
2-(2-amino-4-pyridinyl)-1-(3-ethylcyclopentyl)ethanol
CID 65412111
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-ethylphenyl)ethanamine
CID 65414953
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
4-[2-hydrazinyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pyridin-2-amine
CID 105265791
N-[1-(3-ethylcyclopentyl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 79740447
3-[2-(ethylamino)-2-(3-ethylcyclohexyl)ethyl]pyridin-4-amine
CID 65413742
1-(3-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010677

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine (CID 65414759) is 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C1CCCC(CC)C1.
What is the InChIKey of 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is LBLFYAKSHQHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-9-20-17(12-15-8-10-21-18(19)13-15)16-7-5-6-14(4-2)11-16/h8,10,13-14,16-17,20H,3-7,9,11-12H2,1-2H3,(H2,19,21).
What are the key properties of 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine?
4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 65414759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).