N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine

C8H18IN3 — CID 175616041

IUPACN-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine
SMILESCC(C)N(C)CC1(NI)CNC1
InChIInChI=1S/C8H18IN3/c1-7(2)12(3)6-8(11-9)4-10-5-8/h7,10-11H,4-6H2,1-3H3
InChIKeyCDRZIOMRJVXQNT-UHFFFAOYSA-N
MW283.16 g/mol
LogP0.61
Rot. Bonds4

About N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine

N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine (PubChem CID 175616041) has the molecular formula C8H18IN3 and a molecular weight of 283.16 g/mol. Its IUPAC name is N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine
PubChem CID175616041
Molecular FormulaC8H18IN3
Molecular Weight283.16 g/mol
Exact Mass283.05
IUPAC NameN-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine
SMILESCC(C)N(C)CC1(NI)CNC1
InChIInChI=1S/C8H18IN3/c1-7(2)12(3)6-8(11-9)4-10-5-8/h7,10-11H,4-6H2,1-3H3
InChIKeyCDRZIOMRJVXQNT-UHFFFAOYSA-N
XLogP0.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine?
The IUPAC name of N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine (CID 175616041) is N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine.
What is the SMILES notation for N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine?
The canonical SMILES for N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine is CC(C)N(C)CC1(NI)CNC1.
What is the InChIKey of N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine?
The InChIKey is CDRZIOMRJVXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18IN3/c1-7(2)12(3)6-8(11-9)4-10-5-8/h7,10-11H,4-6H2,1-3H3.
What are the key properties of N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine?
N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine has a molecular weight of 283.16 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-3-[[methyl(propan-2-yl)amino]methyl]azetidin-3-amine is sourced from PubChem (CID 175616041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).