4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine

C12H25IN2 — CID 107914068

IUPAC4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
SMILESCN1CCCCC1CCNCCCCI
InChIInChI=1S/C12H25IN2/c1-15-11-5-2-6-12(15)7-10-14-9-4-3-8-13/h12,14H,2-11H2,1H3
InChIKeyCKCHZNWLMGHFSL-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.67
Rot. Bonds7

About 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine

4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine (PubChem CID 107914068) has the molecular formula C12H25IN2 and a molecular weight of 324.25 g/mol. Its IUPAC name is 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
PubChem CID107914068
Molecular FormulaC12H25IN2
Molecular Weight324.25 g/mol
Exact Mass324.11
IUPAC Name4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
SMILESCN1CCCCC1CCNCCCCI
InChIInChI=1S/C12H25IN2/c1-15-11-5-2-6-12(15)7-10-14-9-4-3-8-13/h12,14H,2-11H2,1H3
InChIKeyCKCHZNWLMGHFSL-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
CID 62414712
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
The IUPAC name of 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine (CID 107914068) is 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine is CN1CCCCC1CCNCCCCI.
What is the InChIKey of 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
The InChIKey is CKCHZNWLMGHFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IN2/c1-15-11-5-2-6-12(15)7-10-14-9-4-3-8-13/h12,14H,2-11H2,1H3.
What are the key properties of 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 107914068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).