2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron

C19H27FeN-6 — CID 175105040

IUPAC2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron
SMILESC=C(CN(C(C)C)C(C)C)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H22N.C5H5.Fe/c1-11(2)15(12(3)4)10-13(5)14-8-6-7-9-14;1-2-4-5-3-1;/h6-9,11-12H,5,10H2,1-4H3;1-5H;/q-1;-5;
InChIKeySRLOTXZYNZYCKG-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.94
Rot. Bonds5

About 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron

2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron (PubChem CID 175105040) has the molecular formula C19H27FeN-6 and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron
PubChem CID175105040
Molecular FormulaC19H27FeN-6
Molecular Weight325.28 g/mol
Exact Mass325.15
IUPAC Name2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron
SMILESC=C(CN(C(C)C)C(C)C)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H22N.C5H5.Fe/c1-11(2)15(12(3)4)10-13(5)14-8-6-7-9-14;1-2-4-5-3-1;/h6-9,11-12H,5,10H2,1-4H3;1-5H;/q-1;-5;
InChIKeySRLOTXZYNZYCKG-UHFFFAOYSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.94
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 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron (CID 175105040) is 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron is C=C(CN(C(C)C)C(C)C)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron?
The InChIKey is SRLOTXZYNZYCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N.C5H5.Fe/c1-11(2)15(12(3)4)10-13(5)14-8-6-7-9-14;1-2-4-5-3-1;/h6-9,11-12H,5,10H2,1-4H3;1-5H;/q-1;-5;.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron?
2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron has a molecular weight of 325.28 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron is sourced from PubChem (CID 175105040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).