N-iodomethanamine;propan-1-amine

C4H13IN2 — CID 159340875

IUPACN-iodomethanamine;propan-1-amine
SMILESCCCN.CNI
InChIInChI=1S/C3H9N.CH4IN/c1-2-3-4;1-3-2/h2-4H2,1H3;3H,1H3
InChIKeyLGCVVWVGNUZJBK-UHFFFAOYSA-N
MW216.07 g/mol
LogP0.91
Rot. Bonds1

About N-iodomethanamine;propan-1-amine

N-iodomethanamine;propan-1-amine (PubChem CID 159340875) has the molecular formula C4H13IN2 and a molecular weight of 216.07 g/mol. Its IUPAC name is N-iodomethanamine;propan-1-amine.

Molecular Properties

Compound NameN-iodomethanamine;propan-1-amine
PubChem CID159340875
Molecular FormulaC4H13IN2
Molecular Weight216.07 g/mol
Exact Mass216.01
IUPAC NameN-iodomethanamine;propan-1-amine
SMILESCCCN.CNI
InChIInChI=1S/C3H9N.CH4IN/c1-2-3-4;1-3-2/h2-4H2,1H3;3H,1H3
InChIKeyLGCVVWVGNUZJBK-UHFFFAOYSA-N
XLogP0.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 50.91
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

N-methylmethanamine;propan-1-amine;trihydrochloride
CID 174050669
methanamine;propan-1-amine
CID 174401189
tetrakis(propan-1-amine);hydrochloride
CID 175147517
ethane;methanamine;bis(propan-1-amine)
CID 142026160
azane;propan-1-amine;hydrochloride
CID 141075684
cyclohexane;propan-1-amine
CID 159085812
aminomethanol;propan-1-amine;dihydrate
CID 140660358
2-methylpropan-2-amine;propan-1-amine
CID 19917238
propan-1-amine;tetrachlorohafnium;titanium
CID 174911130
ethane;methanediamine;N-methylmethanamine;propan-1-amine;(sulfinatoamino)methane
CID 158545182
cyclopropanamine;propan-1-amine
CID 19917220
sodium;dodecane;hydride;propan-1-amine
CID 174496653

Frequently Asked Questions

What is the IUPAC name of N-iodomethanamine;propan-1-amine?
The IUPAC name of N-iodomethanamine;propan-1-amine (CID 159340875) is N-iodomethanamine;propan-1-amine.
What is the SMILES notation for N-iodomethanamine;propan-1-amine?
The canonical SMILES for N-iodomethanamine;propan-1-amine is CCCN.CNI.
What is the InChIKey of N-iodomethanamine;propan-1-amine?
The InChIKey is LGCVVWVGNUZJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH4IN/c1-2-3-4;1-3-2/h2-4H2,1H3;3H,1H3.
What are the key properties of N-iodomethanamine;propan-1-amine?
N-iodomethanamine;propan-1-amine has a molecular weight of 216.07 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodomethanamine;propan-1-amine is sourced from PubChem (CID 159340875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).