ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine

C8H18INO — CID 162765999

IUPACethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCC.CN(I)CC1CCCO1
InChIInChI=1S/C6H12INO.C2H6/c1-8(7)5-6-3-2-4-9-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeySUXPUMSRTVDTSR-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.47
Rot. Bonds2

About ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine

ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 162765999) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Nameethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID162765999
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC Nameethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCC.CN(I)CC1CCCO1
InChIInChI=1S/C6H12INO.C2H6/c1-8(7)5-6-3-2-4-9-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeySUXPUMSRTVDTSR-UHFFFAOYSA-N
XLogP2.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N-iodo-N-methyl-1-(oxiran-2-yl)methanamine
CID 118696490
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
potassium trifluoro-[[methyl(oxolan-2-ylmethyl)amino]methyl]boranuide
CID 63703072

Frequently Asked Questions

What is the IUPAC name of ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine (CID 162765999) is ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine is CC.CN(I)CC1CCCO1.
What is the InChIKey of ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is SUXPUMSRTVDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO.C2H6/c1-8(7)5-6-3-2-4-9-6;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine?
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 271.14 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 162765999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).