3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine

C12H17IN2O2 — CID 97215805

IUPAC3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
SMILESIc1cccnc1NCCOC[C@H]1CCCO1
InChIInChI=1S/C12H17IN2O2/c13-11-4-1-5-14-12(11)15-6-8-16-9-10-3-2-7-17-10/h1,4-5,10H,2-3,6-9H2,(H,14,15)/t10-/m1/s1
InChIKeyJYFKGFCRWWDLFW-SNVBAGLBSA-N
MW348.18 g/mol
LogP2.29
Rot. Bonds6

About 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine

3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine (PubChem CID 97215805) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
PubChem CID97215805
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC Name3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine
SMILESIc1cccnc1NCCOC[C@H]1CCCO1
InChIInChI=1S/C12H17IN2O2/c13-11-4-1-5-14-12(11)15-6-8-16-9-10-3-2-7-17-10/h1,4-5,10H,2-3,6-9H2,(H,14,15)/t10-/m1/s1
InChIKeyJYFKGFCRWWDLFW-SNVBAGLBSA-N
XLogP2.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315051
N-[(5-chloroquinolin-8-yl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 97079648
N-[3-(oxolan-2-ylmethoxy)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079663
4,6-dimethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315058
N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 115629596
N-[2-(oxolan-2-ylmethoxy)ethyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133314946
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
2,3,5,6-tetrafluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]pyridin-4-amine
CID 133388031
5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine
CID 71871276
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111788852
N-[2-(oxolan-2-ylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 84588279

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine?
The IUPAC name of 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine (CID 97215805) is 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine.
What is the SMILES notation for 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine?
The canonical SMILES for 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine is Ic1cccnc1NCCOC[C@H]1CCCO1.
What is the InChIKey of 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine?
The InChIKey is JYFKGFCRWWDLFW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17IN2O2/c13-11-4-1-5-14-12(11)15-6-8-16-9-10-3-2-7-17-10/h1,4-5,10H,2-3,6-9H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine?
3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine has a molecular weight of 348.18 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 97215805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).