N-iodo-5-propan-2-ylpiperidin-2-amine

C8H17IN2 — CID 138545489

IUPACN-iodo-5-propan-2-ylpiperidin-2-amine
SMILESCC(C)C1CCC(NI)NC1
InChIInChI=1S/C8H17IN2/c1-6(2)7-3-4-8(11-9)10-5-7/h6-8,10-11H,3-5H2,1-2H3
InChIKeySRXNQWTYJWVQIR-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.91
Rot. Bonds2

About N-iodo-5-propan-2-ylpiperidin-2-amine

N-iodo-5-propan-2-ylpiperidin-2-amine (PubChem CID 138545489) has the molecular formula C8H17IN2 and a molecular weight of 268.14 g/mol. Its IUPAC name is N-iodo-5-propan-2-ylpiperidin-2-amine.

Molecular Properties

Compound NameN-iodo-5-propan-2-ylpiperidin-2-amine
PubChem CID138545489
Molecular FormulaC8H17IN2
Molecular Weight268.14 g/mol
Exact Mass268.04
IUPAC NameN-iodo-5-propan-2-ylpiperidin-2-amine
SMILESCC(C)C1CCC(NI)NC1
InChIInChI=1S/C8H17IN2/c1-6(2)7-3-4-8(11-9)10-5-7/h6-8,10-11H,3-5H2,1-2H3
InChIKeySRXNQWTYJWVQIR-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.91
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'}

Analyze N-iodo-5-propan-2-ylpiperidin-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

(2R,5S)-N-methyl-5-propan-2-ylpiperidin-2-amine
CID 166860344
ethane;5-propan-2-ylpiperidin-2-amine
CID 142285006
propan-2-ylcyclopropane;hydroiodide
CID 162314014
CID 144671980
CID 144671980
2-ethyl-4-propan-2-ylpyrrolidine
CID 55288248
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
(2R,4R)-2-iodo-4-propan-2-ylpiperidine
CID 167503310
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
CID 147316597
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
4-propan-2-ylcyclohexan-1-ol
CID 159817143
aziridin-2-yl(methylimino)-λ3-iodane
CID 163738732

Frequently Asked Questions

What is the IUPAC name of N-iodo-5-propan-2-ylpiperidin-2-amine?
The IUPAC name of N-iodo-5-propan-2-ylpiperidin-2-amine (CID 138545489) is N-iodo-5-propan-2-ylpiperidin-2-amine.
What is the SMILES notation for N-iodo-5-propan-2-ylpiperidin-2-amine?
The canonical SMILES for N-iodo-5-propan-2-ylpiperidin-2-amine is CC(C)C1CCC(NI)NC1.
What is the InChIKey of N-iodo-5-propan-2-ylpiperidin-2-amine?
The InChIKey is SRXNQWTYJWVQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2/c1-6(2)7-3-4-8(11-9)10-5-7/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of N-iodo-5-propan-2-ylpiperidin-2-amine?
N-iodo-5-propan-2-ylpiperidin-2-amine has a molecular weight of 268.14 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-5-propan-2-ylpiperidin-2-amine is sourced from PubChem (CID 138545489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).