2-iodopentan-2-amine

C5H12IN — CID 144517487

IUPAC2-iodopentan-2-amine
SMILESCCCC(C)(N)I
InChIInChI=1S/C5H12IN/c1-3-4-5(2,6)7/h3-4,7H2,1-2H3
InChIKeyPDVCFXSAWBKYHT-UHFFFAOYSA-N
MW213.06 g/mol
LogP1.90
Rot. Bonds2

About 2-iodopentan-2-amine

2-iodopentan-2-amine (PubChem CID 144517487) has the molecular formula C5H12IN and a molecular weight of 213.06 g/mol. Its IUPAC name is 2-iodopentan-2-amine.

Molecular Properties

Compound Name2-iodopentan-2-amine
PubChem CID144517487
Molecular FormulaC5H12IN
Molecular Weight213.06 g/mol
Exact Mass213.00
IUPAC Name2-iodopentan-2-amine
SMILESCCCC(C)(N)I
InChIInChI=1S/C5H12IN/c1-3-4-5(2,6)7/h3-4,7H2,1-2H3
InChIKeyPDVCFXSAWBKYHT-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodopentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4-trimethylheptan-4-amine
CID 139427507
3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
hexane-3,3-diamine
CID 18331048
2-propylpentane-1,1,1,2-tetramine
CID 141463069
5,5-dimethyl-6,6-dipropylnonane-4,4-diamine
CID 141278434
4,6-diiodo-4,6-dimethylnonan-5-one
CID 151670843
bis(2-methylpropan-2-amine);propane
CID 160822364
CID 59081888
CID 59081888
azane;3-ethylhexan-3-amine
CID 18676269
bis(2,2-dimethylpentane);methane
CID 159859974
2-methylpropan-2-amine;propan-1-amine
CID 19917238
3-N,2,3-trimethylhexane-2,3-diamine
CID 142608976

Frequently Asked Questions

What is the IUPAC name of 2-iodopentan-2-amine?
The IUPAC name of 2-iodopentan-2-amine (CID 144517487) is 2-iodopentan-2-amine.
What is the SMILES notation for 2-iodopentan-2-amine?
The canonical SMILES for 2-iodopentan-2-amine is CCCC(C)(N)I.
What is the InChIKey of 2-iodopentan-2-amine?
The InChIKey is PDVCFXSAWBKYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12IN/c1-3-4-5(2,6)7/h3-4,7H2,1-2H3.
What are the key properties of 2-iodopentan-2-amine?
2-iodopentan-2-amine has a molecular weight of 213.06 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopentan-2-amine is sourced from PubChem (CID 144517487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).