N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine

C9H19IN2 — CID 134444032

IUPACN-[(1S)-1-iodoethyl]-1-methylazepan-3-amine
SMILESC[C@H](I)NC1CCCCN(C)C1
InChIInChI=1S/C9H19IN2/c1-8(10)11-9-5-3-4-6-12(2)7-9/h8-9,11H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyHUVIUIZRCXSJII-VEDVMXKPSA-N
MW282.17 g/mol
LogP1.84
Rot. Bonds2

About N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine

N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine (PubChem CID 134444032) has the molecular formula C9H19IN2 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-iodoethyl]-1-methylazepan-3-amine
PubChem CID134444032
Molecular FormulaC9H19IN2
Molecular Weight282.17 g/mol
Exact Mass282.06
IUPAC NameN-[(1S)-1-iodoethyl]-1-methylazepan-3-amine
SMILESC[C@H](I)NC1CCCCN(C)C1
InChIInChI=1S/C9H19IN2/c1-8(10)11-9-5-3-4-6-12(2)7-9/h8-9,11H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyHUVIUIZRCXSJII-VEDVMXKPSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142350050
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
6-fluoro-N-(1-iodoethyl)-1-methylazepan-4-amine
CID 167084651
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106349071

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine?
The IUPAC name of N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine (CID 134444032) is N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine.
What is the SMILES notation for N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine?
The canonical SMILES for N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine is C[C@H](I)NC1CCCCN(C)C1.
What is the InChIKey of N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine?
The InChIKey is HUVIUIZRCXSJII-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19IN2/c1-8(10)11-9-5-3-4-6-12(2)7-9/h8-9,11H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine?
N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine has a molecular weight of 282.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine is sourced from PubChem (CID 134444032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).