3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine

C12H18ClN3O — CID 113391501

IUPAC3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C(N)CC1CCCCO1
InChIInChI=1S/C12H18ClN3O/c13-8-5-10(12(15)16-7-8)11(14)6-9-3-1-2-4-17-9/h5,7,9,11H,1-4,6,14H2,(H2,15,16)
InChIKeyCSRBWQCOSQOFNZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.28
Rot. Bonds3

About 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine

3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine (PubChem CID 113391501) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine
PubChem CID113391501
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C(N)CC1CCCCO1
InChIInChI=1S/C12H18ClN3O/c13-8-5-10(12(15)16-7-8)11(14)6-9-3-1-2-4-17-9/h5,7,9,11H,1-4,6,14H2,(H2,15,16)
InChIKeyCSRBWQCOSQOFNZ-UHFFFAOYSA-N
XLogP2.28
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[1-hydrazinyl-2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 105267477
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
[1-(5-chloro-2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267580
3-chloro-5-(oxan-2-ylmethyl)pyridine
CID 57321336
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
5-chloro-3-[ethylamino(oxan-4-yl)methyl]pyridin-2-amine
CID 65334338
1-(4-bromo-2,5-difluorophenyl)-2-(oxolan-2-yl)ethanamine
CID 65156453

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine (CID 113391501) is 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine is Nc1ncc(Cl)cc1C(N)CC1CCCCO1.
What is the InChIKey of 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine?
The InChIKey is CSRBWQCOSQOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-8-5-10(12(15)16-7-8)11(14)6-9-3-1-2-4-17-9/h5,7,9,11H,1-4,6,14H2,(H2,15,16).
What are the key properties of 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine?
3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 113391501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).