N-iodomethanamine;propan-2-ol

C4H12INO — CID 175366064

IUPACN-iodomethanamine;propan-2-ol
SMILESCC(C)O.CNI
InChIInChI=1S/C3H8O.CH4IN/c1-3(2)4;1-3-2/h3-4H,1-2H3;3H,1H3
InChIKeyJUVOLNNOYCMEKF-UHFFFAOYSA-N
MW217.05 g/mol
LogP0.94
Rot. Bonds

About N-iodomethanamine;propan-2-ol

N-iodomethanamine;propan-2-ol (PubChem CID 175366064) has the molecular formula C4H12INO and a molecular weight of 217.05 g/mol. Its IUPAC name is N-iodomethanamine;propan-2-ol.

Molecular Properties

Compound NameN-iodomethanamine;propan-2-ol
PubChem CID175366064
Molecular FormulaC4H12INO
Molecular Weight217.05 g/mol
Exact Mass217.00
IUPAC NameN-iodomethanamine;propan-2-ol
SMILESCC(C)O.CNI
InChIInChI=1S/C3H8O.CH4IN/c1-3(2)4;1-3-2/h3-4H,1-2H3;3H,1H3
InChIKeyJUVOLNNOYCMEKF-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 50.94
H-Bond Donors ≤ 52
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

CID 58943019
CID 58943019
erbium;propan-2-ol
CID 160843836
CID 85354423
CID 85354423
Indium(III) isopropoxide
CID 159258374
tetrakis(propan-2-ol);samarium
CID 175326578
propan-2-ol;titanium
CID 25200171
CID 131857540
CID 131857540
ethane;tetrakis(propan-2-ol)
CID 174681393
niobium;tris(propan-2-ol)
CID 140526066
cerium;tetrakis(propan-2-ol)
CID 87109563
methanol;pentakis(propan-2-ol)
CID 19010899
tetrakis(propan-2-ol);thulium
CID 174050117

Frequently Asked Questions

What is the IUPAC name of N-iodomethanamine;propan-2-ol?
The IUPAC name of N-iodomethanamine;propan-2-ol (CID 175366064) is N-iodomethanamine;propan-2-ol.
What is the SMILES notation for N-iodomethanamine;propan-2-ol?
The canonical SMILES for N-iodomethanamine;propan-2-ol is CC(C)O.CNI.
What is the InChIKey of N-iodomethanamine;propan-2-ol?
The InChIKey is JUVOLNNOYCMEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH4IN/c1-3(2)4;1-3-2/h3-4H,1-2H3;3H,1H3.
What are the key properties of N-iodomethanamine;propan-2-ol?
N-iodomethanamine;propan-2-ol has a molecular weight of 217.05 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodomethanamine;propan-2-ol is sourced from PubChem (CID 175366064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).