1-(iodomethyl)-3-propylcyclopentane

C9H17I — CID 148554374

IUPAC1-(iodomethyl)-3-propylcyclopentane
SMILESCCCC1CCC(CI)C1
InChIInChI=1S/C9H17I/c1-2-3-8-4-5-9(6-8)7-10/h8-9H,2-7H2,1H3
InChIKeyWJMJRUPGZLWGCD-UHFFFAOYSA-N
MW252.14 g/mol
LogP3.64
Rot. Bonds3

About 1-(iodomethyl)-3-propylcyclopentane

1-(iodomethyl)-3-propylcyclopentane (PubChem CID 148554374) has the molecular formula C9H17I and a molecular weight of 252.14 g/mol. Its IUPAC name is 1-(iodomethyl)-3-propylcyclopentane.

Molecular Properties

Compound Name1-(iodomethyl)-3-propylcyclopentane
PubChem CID148554374
Molecular FormulaC9H17I
Molecular Weight252.14 g/mol
Exact Mass252.04
IUPAC Name1-(iodomethyl)-3-propylcyclopentane
SMILESCCCC1CCC(CI)C1
InChIInChI=1S/C9H17I/c1-2-3-8-4-5-9(6-8)7-10/h8-9H,2-7H2,1H3
InChIKeyWJMJRUPGZLWGCD-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-propylcyclopentyl)methanamine
CID 83635339
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
3-propylbicyclo[4.2.0]octane
CID 145186098
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
1-ethyl-3-propylcyclohexane
CID 22129036
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59893526
1-ethyl-3-(iodomethyl)cyclobutane
CID 89033986
ethane;propane;propylcyclopropane
CID 145406182
1,4-dipropylcyclohexane;pentane
CID 90867354
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
magnesium;1-methanidyl-3-propylcyclopentane;bromide
CID 88767379

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-3-propylcyclopentane?
The IUPAC name of 1-(iodomethyl)-3-propylcyclopentane (CID 148554374) is 1-(iodomethyl)-3-propylcyclopentane.
What is the SMILES notation for 1-(iodomethyl)-3-propylcyclopentane?
The canonical SMILES for 1-(iodomethyl)-3-propylcyclopentane is CCCC1CCC(CI)C1.
What is the InChIKey of 1-(iodomethyl)-3-propylcyclopentane?
The InChIKey is WJMJRUPGZLWGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17I/c1-2-3-8-4-5-9(6-8)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 1-(iodomethyl)-3-propylcyclopentane?
1-(iodomethyl)-3-propylcyclopentane has a molecular weight of 252.14 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-3-propylcyclopentane is sourced from PubChem (CID 148554374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).