5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine

C10H20IN — CID 107901319

IUPAC5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine
SMILESCC(C)=CCNCCCCCI
InChIInChI=1S/C10H20IN/c1-10(2)6-9-12-8-5-3-4-7-11/h6,12H,3-5,7-9H2,1-2H3
InChIKeyCUUKVSKQOLUKKU-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.15
Rot. Bonds7

About 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine

5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine (PubChem CID 107901319) has the molecular formula C10H20IN and a molecular weight of 281.18 g/mol. Its IUPAC name is 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine.

Molecular Properties

Compound Name5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine
PubChem CID107901319
Molecular FormulaC10H20IN
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine
SMILESCC(C)=CCNCCCCCI
InChIInChI=1S/C10H20IN/c1-10(2)6-9-12-8-5-3-4-7-11/h6,12H,3-5,7-9H2,1-2H3
InChIKeyCUUKVSKQOLUKKU-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylbut-2-enylamino)hexan-1-ol
CID 106547380
N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
3-methyl-N-(3-methylsulfanylpropyl)but-2-en-1-amine
CID 106547202
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
CID 106547392
N-ethyl-7-iodoheptan-1-amine
CID 152937325
3-methyl-N-(4-phenylbutyl)but-2-en-1-amine
CID 106546944
12-iodo-N-propyldodecan-1-amine
CID 166998294
N-(4-iodobutyl)octan-1-amine
CID 106844597
N-ethyl-4-iodobutan-1-amine
CID 87850585

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine?
The IUPAC name of 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine (CID 107901319) is 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine.
What is the SMILES notation for 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine?
The canonical SMILES for 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine is CC(C)=CCNCCCCCI.
What is the InChIKey of 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine?
The InChIKey is CUUKVSKQOLUKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN/c1-10(2)6-9-12-8-5-3-4-7-11/h6,12H,3-5,7-9H2,1-2H3.
What are the key properties of 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine?
5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine has a molecular weight of 281.18 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine is sourced from PubChem (CID 107901319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).