cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron

C16H32FeN+ — CID 162277252

IUPACcyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron
SMILESC1CCCC1.C=CC[N+](C)(C)CC1CCCC1.[Fe]
InChIInChI=1S/C11H22N.C5H10.Fe/c1-4-9-12(2,3)10-11-7-5-6-8-11;1-2-4-5-3-1;/h4,11H,1,5-10H2,2-3H3;1-5H2;/q+1;;
InChIKeyRPFGXLFUGTXNIZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.39
Rot. Bonds4

About cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron

cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron (PubChem CID 162277252) has the molecular formula C16H32FeN+ and a molecular weight of 294.28 g/mol. Its IUPAC name is cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron.

Molecular Properties

Compound Namecyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron
PubChem CID162277252
Molecular FormulaC16H32FeN+
Molecular Weight294.28 g/mol
Exact Mass294.19
IUPAC Namecyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron
SMILESC1CCCC1.C=CC[N+](C)(C)CC1CCCC1.[Fe]
InChIInChI=1S/C11H22N.C5H10.Fe/c1-4-9-12(2,3)10-11-7-5-6-8-11;1-2-4-5-3-1;/h4,11H,1,5-10H2,2-3H3;1-5H2;/q+1;;
InChIKeyRPFGXLFUGTXNIZ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl-ethyl-dimethylazanium;hydrochloride
CID 154694779
cyclohexylmethyl(trimethyl)azanium hydroxide
CID 12533371
cyclohexylmethyl-dimethyl-sulfanylazanium
CID 143834523
cyclohexylmethyl(trimethyl)azanium fluoride
CID 25184933
1-cyclononyl-N,N-dimethylmethanamine oxide
CID 121011924
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
cyclopropyl-dimethyl-prop-2-enylazanium
CID 138504262
but-3-enylcyclododecane
CID 54074675
1,4-bis(prop-2-enyl)cyclooctane
CID 175303575
cyclopentadecylmethylcyclopentadecane
CID 91804599
hex-5-enylcyclopentane
CID 20565123
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896

Frequently Asked Questions

What is the IUPAC name of cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron?
The IUPAC name of cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron (CID 162277252) is cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron.
What is the SMILES notation for cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron?
The canonical SMILES for cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron is C1CCCC1.C=CC[N+](C)(C)CC1CCCC1.[Fe].
What is the InChIKey of cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron?
The InChIKey is RPFGXLFUGTXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N.C5H10.Fe/c1-4-9-12(2,3)10-11-7-5-6-8-11;1-2-4-5-3-1;/h4,11H,1,5-10H2,2-3H3;1-5H2;/q+1;;.
What are the key properties of cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron?
cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron has a molecular weight of 294.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;cyclopentylmethyl-dimethyl-prop-2-enylazanium;iron is sourced from PubChem (CID 162277252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).