3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine

C16H27N3O — CID 116767017

IUPAC3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCCOC1(C(N)Cc2cccnc2N)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-3-20-16(8-6-12(2)7-9-16)14(17)11-13-5-4-10-19-15(13)18/h4-5,10,12,14H,3,6-9,11,17H2,1-2H3,(H2,18,19)
InChIKeyXQKGLAYGKVUJGS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.52
Rot. Bonds5

About 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine

3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine (PubChem CID 116767017) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
PubChem CID116767017
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCCOC1(C(N)Cc2cccnc2N)CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-3-20-16(8-6-12(2)7-9-16)14(17)11-13-5-4-10-19-15(13)18/h4-5,10,12,14H,3,6-9,11,17H2,1-2H3,(H2,18,19)
InChIKeyXQKGLAYGKVUJGS-UHFFFAOYSA-N
XLogP2.52
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 116766889
3-[2-(4-ethoxyoxan-4-yl)-2-(ethylamino)ethyl]pyridin-2-amine
CID 116765898
(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749351
(2-amino-3-pyridinyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755162
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
2-(2,3-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 107309128
1-(1-ethoxycyclopentyl)-2-quinolin-4-ylethanamine
CID 116761616
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine (CID 116767017) is 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine is CCOC1(C(N)Cc2cccnc2N)CCC(C)CC1.
What is the InChIKey of 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine?
The InChIKey is XQKGLAYGKVUJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-20-16(8-6-12(2)7-9-16)14(17)11-13-5-4-10-19-15(13)18/h4-5,10,12,14H,3,6-9,11,17H2,1-2H3,(H2,18,19).
What are the key properties of 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine?
3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 116767017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).