N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine

C15H25N — CID 100947997

IUPACN-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine
SMILESCC(C)=CCCN(C)C(C)(C)C1C=CC=C1
InChIInChI=1S/C15H25N/c1-13(2)9-8-12-16(5)15(3,4)14-10-6-7-11-14/h6-7,9-11,14H,8,12H2,1-5H3
InChIKeyMEOCTPUDUHLBCF-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.80
Rot. Bonds5

About N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine

N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine (PubChem CID 100947997) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine
PubChem CID100947997
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine
SMILESCC(C)=CCCN(C)C(C)(C)C1C=CC=C1
InChIInChI=1S/C15H25N/c1-13(2)9-8-12-16(5)15(3,4)14-10-6-7-11-14/h6-7,9-11,14H,8,12H2,1-5H3
InChIKeyMEOCTPUDUHLBCF-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine with MolForge

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Related Compounds

(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine
CID 142950915
N,N-diethyl-3,7-dimethylocta-4,6-dienylamine
CID 129777622
1-Diethylaminostyrene
CID 129871574
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
CID 11984885
(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
CID 12617167
lithium 2-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-1-amine
CID 17868945
Carbanide;2,3,3-trimethyl-1,5-dihydroisoindol-5-ide;vanadium(2+)
CID 57993891
1-Tert-butyl-2-propan-2-yl-2,5-dihydropyrrole
CID 58403884
2-Tert-butyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine
CID 59576841
1-Cyclopenta-2,4-dien-1-ylethyl(trimethyl)azanium chloride
CID 68162463
lithium 2-cyclopenta-1,4-dien-1-yl-N,N-dimethylpropan-2-amine
CID 88223235
N-ethyl-N-[(6-methyl-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 89020559

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine?
The IUPAC name of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine (CID 100947997) is N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine?
The canonical SMILES for N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine is CC(C)=CCCN(C)C(C)(C)C1C=CC=C1.
What is the InChIKey of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine?
The InChIKey is MEOCTPUDUHLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-13(2)9-8-12-16(5)15(3,4)14-10-6-7-11-14/h6-7,9-11,14H,8,12H2,1-5H3.
What are the key properties of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine?
N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 100947997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).