carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)

C16H35FeN — CID 137319736

IUPACcarbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
SMILESC1CCCC1.C[C@@H](C1CCCC1)N(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C9H19N.C5H10.2CH3.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;;;/h8-9H,4-7H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t8-;;;;/m0..../s1
InChIKeyKNFNPOHBQVHAQI-USHJOAKVSA-N
MW297.31 g/mol
LogP4.98
Rot. Bonds2

About carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)

carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+) (PubChem CID 137319736) has the molecular formula C16H35FeN and a molecular weight of 297.31 g/mol. Its IUPAC name is carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
PubChem CID137319736
Molecular FormulaC16H35FeN
Molecular Weight297.31 g/mol
Exact Mass297.21
IUPAC Namecarbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
SMILESC1CCCC1.C[C@@H](C1CCCC1)N(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C9H19N.C5H10.2CH3.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;;;/h8-9H,4-7H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t8-;;;;/m0..../s1
InChIKeyKNFNPOHBQVHAQI-USHJOAKVSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)?
The IUPAC name of carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+) (CID 137319736) is carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+) is C1CCCC1.C[C@@H](C1CCCC1)N(C)C.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)?
The InChIKey is KNFNPOHBQVHAQI-USHJOAKVSA-N. The full InChI is InChI=1S/C9H19N.C5H10.2CH3.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;;;/h8-9H,4-7H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t8-;;;;/m0..../s1.
What are the key properties of carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)?
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+) has a molecular weight of 297.31 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+) is sourced from PubChem (CID 137319736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).