2-(2-iodoethyl)-4-methylcyclopentan-1-amine

C8H16IN — CID 155097003

IUPAC2-(2-iodoethyl)-4-methylcyclopentan-1-amine
SMILESCC1CC(N)C(CCI)C1
InChIInChI=1S/C8H16IN/c1-6-4-7(2-3-9)8(10)5-6/h6-8H,2-5,10H2,1H3
InChIKeyHJVQNVPKMROZHJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.18
Rot. Bonds2

About 2-(2-iodoethyl)-4-methylcyclopentan-1-amine

2-(2-iodoethyl)-4-methylcyclopentan-1-amine (PubChem CID 155097003) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-(2-iodoethyl)-4-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-iodoethyl)-4-methylcyclopentan-1-amine
PubChem CID155097003
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name2-(2-iodoethyl)-4-methylcyclopentan-1-amine
SMILESCC1CC(N)C(CCI)C1
InChIInChI=1S/C8H16IN/c1-6-4-7(2-3-9)8(10)5-6/h6-8H,2-5,10H2,1H3
InChIKeyHJVQNVPKMROZHJ-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-ethyl-4-methylcyclopentan-1-amine
CID 163423682
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
2-(aminomethyl)-5-methylcyclohexan-1-amine
CID 62070304
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
(2,4-dimethylcyclopentyl)methanamine
CID 134314260
8-methylcyclononane-1,2,3,4,6-pentamine
CID 156522931
1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane
CID 163832162
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736208
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethyl)-4-methylcyclopentan-1-amine?
The IUPAC name of 2-(2-iodoethyl)-4-methylcyclopentan-1-amine (CID 155097003) is 2-(2-iodoethyl)-4-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-iodoethyl)-4-methylcyclopentan-1-amine?
The canonical SMILES for 2-(2-iodoethyl)-4-methylcyclopentan-1-amine is CC1CC(N)C(CCI)C1.
What is the InChIKey of 2-(2-iodoethyl)-4-methylcyclopentan-1-amine?
The InChIKey is HJVQNVPKMROZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN/c1-6-4-7(2-3-9)8(10)5-6/h6-8H,2-5,10H2,1H3.
What are the key properties of 2-(2-iodoethyl)-4-methylcyclopentan-1-amine?
2-(2-iodoethyl)-4-methylcyclopentan-1-amine has a molecular weight of 253.13 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethyl)-4-methylcyclopentan-1-amine is sourced from PubChem (CID 155097003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).