N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine

C13H22N2 — CID 121451327

IUPACN-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)=CC(C=C(C)C)NC1=NCCC1
InChIInChI=1S/C13H22N2/c1-10(2)8-12(9-11(3)4)15-13-6-5-7-14-13/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyFVYKTOIUVKLYGM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds3

About N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 121451327) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID121451327
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)=CC(C=C(C)C)NC1=NCCC1
InChIInChI=1S/C13H22N2/c1-10(2)8-12(9-11(3)4)15-13-6-5-7-14-13/h8-9,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyFVYKTOIUVKLYGM-UHFFFAOYSA-N
XLogP3.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 121451327) is N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine is CC(C)=CC(C=C(C)C)NC1=NCCC1.
What is the InChIKey of N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is FVYKTOIUVKLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)8-12(9-11(3)4)15-13-6-5-7-14-13/h8-9,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 206.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 121451327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).