(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine

C16H23N — CID 138962244

IUPAC(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
SMILESC[C@H](C[C@H](C1=CC=CC1)N(C)C)C1=CC=CC1
InChIInChI=1S/C16H23N/c1-13(14-8-4-5-9-14)12-16(17(2)3)15-10-6-7-11-15/h4-8,10,13,16H,9,11-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyGUXAAGRVLFOJEZ-CZUORRHYSA-N
MW229.37 g/mol
LogP3.72
Rot. Bonds5

About (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine

(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine (PubChem CID 138962244) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
PubChem CID138962244
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
SMILESC[C@H](C[C@H](C1=CC=CC1)N(C)C)C1=CC=CC1
InChIInChI=1S/C16H23N/c1-13(14-8-4-5-9-14)12-16(17(2)3)15-10-6-7-11-15/h4-8,10,13,16H,9,11-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyGUXAAGRVLFOJEZ-CZUORRHYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine with MolForge

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Related Compounds

2-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 45088275
cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron
CID 12564947
1-(5-methylheptan-2-yl)cyclopenta-1,3-diene
CID 163645730
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 12564950
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;bis(dimethylazanide);titanium(4+)
CID 153433971
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;ethyl(methyl)azanide;titanium(4+)
CID 153433912
butan-2-yl(2-cyclopenta-1,3-dien-1-ylpropyl)azanide;carbanide;ethyl(methyl)azanide;zirconium(4+)
CID 153433993
methyl 2-cyclopenta-1,3-dien-1-ylpropanoate
CID 22758020
1-(3-methoxybutan-2-yl)cyclopenta-1,3-diene
CID 20605412

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine (CID 138962244) is (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine is C[C@H](C[C@H](C1=CC=CC1)N(C)C)C1=CC=CC1.
What is the InChIKey of (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is GUXAAGRVLFOJEZ-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23N/c1-13(14-8-4-5-9-14)12-16(17(2)3)15-10-6-7-11-15/h4-8,10,13,16H,9,11-12H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine?
(1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1,3-di(cyclopenta-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 138962244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).