2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine

C20H31N — CID 101371214

IUPAC2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)N(CC(CCC1C=CC=C1)C1C=CC=C1)C(C)C
InChIInChI=1S/C20H31N/c1-16(2)21(17(3)4)15-20(19-11-7-8-12-19)14-13-18-9-5-6-10-18/h5-12,16-20H,13-15H2,1-4H3
InChIKeyFKDLVKACDQCKPK-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.99
Rot. Bonds8

About 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine

2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 101371214) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine
PubChem CID101371214
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)N(CC(CCC1C=CC=C1)C1C=CC=C1)C(C)C
InChIInChI=1S/C20H31N/c1-16(2)21(17(3)4)15-20(19-11-7-8-12-19)14-13-18-9-5-6-10-18/h5-12,16-20H,13-15H2,1-4H3
InChIKeyFKDLVKACDQCKPK-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine with MolForge

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Related Compounds

5-(4-cyclopenta-2,4-dien-1-ylbutan-2-yl)cyclopenta-1,3-diene
CID 12685415
5-(4-methylpentyl)cyclopenta-1,3-diene
CID 157130017
2-cyclopenta-2,4-dien-1-ylethyl-di(propan-2-yl)phosphane
CID 11986560
N-(2-cyclopenta-2,4-dien-1-ylethyl)propan-2-amine
CID 15775951
5-undecylcyclopenta-1,3-diene
CID 141280590
5-(5-cyclopenta-2,4-dien-1-yl-2,4-dimethylpentyl)cyclopenta-1,3-diene;nickel
CID 174412301
3-(1-cyclopenta-2,4-dien-1-ylethyl)-1,1-di(propan-2-yl)urea
CID 101340438
5-(3,3-dimethylbutyl)cyclopenta-1,3-diene
CID 140816733
(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
CID 102003612
5-(2-methylpent-4-enyl)cyclopenta-1,3-diene
CID 173002606
2-cyclopenta-2,4-dien-1-ylethyl-dimethoxy-methylsilane
CID 170995189
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853

Frequently Asked Questions

What is the IUPAC name of 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine (CID 101371214) is 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine is CC(C)N(CC(CCC1C=CC=C1)C1C=CC=C1)C(C)C.
What is the InChIKey of 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is FKDLVKACDQCKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16(2)21(17(3)4)15-20(19-11-7-8-12-19)14-13-18-9-5-6-10-18/h5-12,16-20H,13-15H2,1-4H3.
What are the key properties of 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine?
2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cyclopenta-2,4-dien-1-yl)-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 101371214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).